4-MeOPhN2+ Cl-

n d, A Eh E, kJ/mol
26 min 1.4006 -915.8132 0.000
68 max 2.2417 -915.7524 159.478
115 min 3.1829 -915.7576 145.817
473 max 10.3518 -915.7567 148.312

n d, A Eh E, kJ/mol
1 0.9000 -915.3195 1296.167
2 0.9200 -915.3843 1126.067
3 0.9401 -915.4416 975.459
4 0.9601 -915.4923 842.282
5 0.9801 -915.5371 724.682
6 1.0001 -915.5766 620.996
7 1.0202 -915.6114 529.738
8 1.0402 -915.6419 449.586
9 1.0602 -915.6687 379.362
10 1.0802 -915.6920 318.013
11 1.1003 -915.7124 264.596
12 1.1203 -915.7300 218.258
13 1.1403 -915.7453 178.235
14 1.1603 -915.7584 143.840
15 1.1804 -915.7696 114.463
16 1.2004 -915.7790 89.559
17 1.2204 -915.7870 68.641
18 1.2404 -915.7936 51.273
19 1.2605 -915.7990 37.063
20 1.2805 -915.8034 25.653
21 1.3005 -915.8068 16.720
22 1.3205 -915.8094 9.972
23 1.3406 -915.8112 5.149
24 1.3606 -915.8124 2.015
25 1.3806 -915.8130 0.361
26 1.4006 -915.8132 0.000
27 1.4207 -915.8129 0.763
28 1.4407 -915.8122 2.498
29 1.4607 -915.8112 5.067
30 1.4807 -915.8100 8.348
31 1.5008 -915.8085 12.228
32 1.5208 -915.8068 16.608
33 1.5408 -915.8050 21.401
34 1.5608 -915.8031 26.527
35 1.5809 -915.8010 31.919
36 1.6009 -915.7989 37.514
37 1.6209 -915.7967 43.259
38 1.6409 -915.7945 49.107
39 1.6610 -915.7922 55.014
40 1.6810 -915.7899 60.945
41 1.7010 -915.7877 66.866
42 1.7210 -915.7854 72.749
43 1.7411 -915.7832 78.567
44 1.7611 -915.7810 84.301
45 1.7811 -915.7789 89.929
46 1.8011 -915.7768 95.437
47 1.8212 -915.7748 100.810
48 1.8412 -915.7728 106.036
49 1.8612 -915.7708 111.106
50 1.8812 -915.7690 116.010
51 1.9013 -915.7672 120.740
52 1.9213 -915.7654 125.288
53 1.9413 -915.7638 129.648
54 1.9613 -915.7622 133.811
55 1.9814 -915.7607 137.765
56 2.0014 -915.7593 141.497
57 2.0214 -915.7579 144.982
58 2.0414 -915.7567 148.186
59 2.0615 -915.7556 151.056
60 2.0815 -915.7547 153.523
61 2.1015 -915.7539 155.514
62 2.1215 -915.7534 156.999
63 2.1416 -915.7530 158.021
64 2.1616 -915.7527 158.686
65 2.1816 -915.7526 159.104
66 2.2016 -915.7525 159.348
67 2.2217 -915.7524 159.464
68 2.2417 -915.7524 159.478
69 2.2617 -915.7524 159.408
70 2.2817 -915.7525 159.268
71 2.3018 -915.7526 159.074
72 2.3218 -915.7527 158.842
73 2.3418 -915.7528 158.581
74 2.3618 -915.7529 158.295
75 2.3819 -915.7530 157.984
76 2.4019 -915.7538 155.938
77 2.4219 -915.7540 155.193
78 2.4419 -915.7543 154.487
79 2.4620 -915.7546 153.819
80 2.4820 -915.7548 153.187
81 2.5020 -915.7550 152.592
82 2.5220 -915.7552 152.031
83 2.5421 -915.7554 151.504
84 2.5621 -915.7556 151.008
85 2.5821 -915.7558 150.542
86 2.6021 -915.7560 150.105
87 2.6222 -915.7561 149.695
88 2.6422 -915.7563 149.315
89 2.6622 -915.7564 148.963
90 2.6822 -915.7565 148.638
91 2.7023 -915.7567 148.338
92 2.7223 -915.7568 148.063
93 2.7423 -915.7569 147.810
94 2.7623 -915.7569 147.580
95 2.7824 -915.7570 147.370
96 2.8024 -915.7571 147.179
97 2.8224 -915.7572 147.006
98 2.8424 -915.7572 146.850
99 2.8625 -915.7573 146.709
100 2.8825 -915.7573 146.582
101 2.9025 -915.7574 146.469
102 2.9225 -915.7574 146.368
103 2.9426 -915.7574 146.279
104 2.9626 -915.7575 146.200
105 2.9826 -915.7575 146.122
106 3.0026 -915.7575 146.058
107 3.0227 -915.7575 146.003
108 3.0427 -915.7576 145.958
109 3.0627 -915.7576 145.920
110 3.0827 -915.7576 145.890
111 3.1028 -915.7576 145.867
112 3.1228 -915.7576 145.850
113 3.1428 -915.7576 145.828
114 3.1628 -915.7576 145.820
115 3.1829 -915.7576 145.817
116 3.2029 -915.7576 145.819
117 3.2229 -915.7576 145.825
118 3.2429 -915.7576 145.834
119 3.2630 -915.7576 145.846
120 3.2830 -915.7576 145.860
121 3.3030 -915.7576 145.855
122 3.3230 -915.7576 145.871
123 3.3431 -915.7576 145.889
124 3.3631 -915.7576 145.909
125 3.3831 -915.7576 145.911
126 3.4031 -915.7576 145.931
127 3.4232 -915.7576 145.951
128 3.4432 -915.7576 145.972
129 3.4632 -915.7575 145.992
130 3.4832 -915.7575 145.990
131 3.5033 -915.7575 146.006
132 3.5233 -915.7575 146.023
133 3.5433 -915.7575 146.041
134 3.5633 -915.7575 146.044
135 3.5834 -915.7575 146.060
136 3.6034 -915.7575 146.076
137 3.6234 -915.7575 146.093
138 3.6434 -915.7575 146.109
139 3.6635 -915.7575 146.107
140 3.6835 -915.7575 146.117
141 3.7035 -915.7575 146.128
142 3.7235 -915.7575 146.137
143 3.7436 -915.7575 146.127
144 3.7636 -915.7575 146.131
145 3.7836 -915.7575 146.135
146 3.8036 -915.7575 146.139
147 3.8237 -915.7575 146.133
148 3.8437 -915.7575 146.134
149 3.8637 -915.7575 146.135
150 3.8837 -915.7575 146.131
151 3.9038 -915.7575 146.129
152 3.9238 -915.7575 146.128
153 3.9438 -915.7575 146.118
154 3.9638 -915.7575 146.113
155 3.9839 -915.7575 146.108
156 4.0039 -915.7575 146.097
157 4.0239 -915.7575 146.088
158 4.0439 -915.7575 146.095
159 4.0640 -915.7575 146.082
160 4.0840 -915.7575 146.071
161 4.1040 -915.7575 146.058
162 4.1240 -915.7575 146.047
163 4.1441 -915.7575 146.034
164 4.1641 -915.7575 146.035
165 4.1841 -915.7575 146.021
166 4.2041 -915.7575 146.005
167 4.2242 -915.7576 145.990
168 4.2442 -915.7576 145.973
169 4.2642 -915.7576 145.956
170 4.2842 -915.7576 145.938
171 4.3043 -915.7576 145.920
172 4.3243 -915.7576 145.902
173 4.3443 -915.7576 145.883
174 4.3643 -915.7576 145.864
175 4.3844 -915.7576 145.844
176 4.4044 -915.7576 145.827
177 4.4244 -915.7576 145.806
178 4.4444 -915.7576 145.787
179 4.4645 -915.7576 145.770
180 4.4845 -915.7576 145.751
181 4.5045 -915.7576 145.735
182 4.5245 -915.7577 145.715
183 4.5446 -915.7577 145.700
184 4.5646 -915.7577 145.683
185 4.5846 -915.7577 145.670
186 4.6046 -915.7577 145.657
187 4.6247 -915.7577 145.646
188 4.6447 -915.7577 145.633
189 4.6647 -915.7577 145.622
190 4.6847 -915.7577 145.613
191 4.7048 -915.7577 145.616
192 4.7248 -915.7577 145.597
193 4.7448 -915.7577 145.595
194 4.7648 -915.7577 145.595
195 4.7849 -915.7577 145.602
196 4.8049 -915.7577 145.606
197 4.8249 -915.7577 145.615
198 4.8449 -915.7577 145.627
199 4.8650 -915.7577 145.625
200 4.8850 -915.7577 145.638
201 4.9050 -915.7577 145.656
202 4.9250 -915.7577 145.676
203 4.9451 -915.7577 145.699
204 4.9651 -915.7577 145.725
205 4.9851 -915.7576 145.753
206 5.0051 -915.7576 145.783
207 5.0252 -915.7576 145.815
208 5.0452 -915.7576 145.847
209 5.0652 -915.7576 145.880
210 5.0852 -915.7576 145.914
211 5.1053 -915.7576 145.948
212 5.1253 -915.7576 145.982
213 5.1453 -915.7575 146.016
214 5.1653 -915.7575 146.050
215 5.1854 -915.7575 146.085
216 5.2054 -915.7575 146.120
217 5.2254 -915.7575 146.155
218 5.2454 -915.7575 146.192
219 5.2655 -915.7575 146.228
220 5.2855 -915.7574 146.266
221 5.3055 -915.7574 146.304
222 5.3255 -915.7574 146.342
223 5.3456 -915.7574 146.381
224 5.3656 -915.7574 146.420
225 5.3856 -915.7574 146.460
226 5.4056 -915.7574 146.499
227 5.4257 -915.7573 146.539
228 5.4457 -915.7573 146.578
229 5.4657 -915.7573 146.618
230 5.4857 -915.7573 146.656
231 5.5058 -915.7573 146.694
232 5.5258 -915.7573 146.732
233 5.5458 -915.7573 146.768
234 5.5658 -915.7572 146.804
235 5.5859 -915.7572 146.839
236 5.6059 -915.7572 146.874
237 5.6259 -915.7572 146.908
238 5.6459 -915.7572 146.941
239 5.6660 -915.7572 146.862
240 5.6860 -915.7572 146.896
241 5.7060 -915.7572 146.929
242 5.7260 -915.7572 146.963
243 5.7461 -915.7572 146.996
244 5.7661 -915.7572 147.028
245 5.7861 -915.7571 147.060
246 5.8061 -915.7571 147.092
247 5.8262 -915.7571 147.124
248 5.8462 -915.7571 147.155
249 5.8662 -915.7571 147.186
250 5.8862 -915.7571 147.216
251 5.9063 -915.7571 147.246
252 5.9263 -915.7571 147.275
253 5.9463 -915.7570 147.303
254 5.9663 -915.7570 147.331
255 5.9864 -915.7570 147.358
256 6.0064 -915.7570 147.385
257 6.0264 -915.7570 147.410
258 6.0464 -915.7570 147.436
259 6.0665 -915.7570 147.460
260 6.0865 -915.7570 147.485
261 6.1065 -915.7570 147.508
262 6.1265 -915.7570 147.530
263 6.1466 -915.7570 147.552
264 6.1666 -915.7569 147.573
265 6.1866 -915.7569 147.594
266 6.2066 -915.7569 147.614
267 6.2267 -915.7569 147.634
268 6.2467 -915.7569 147.653
269 6.2667 -915.7569 147.672
270 6.2867 -915.7569 147.690
271 6.3068 -915.7569 147.707
272 6.3268 -915.7569 147.724
273 6.3468 -915.7569 147.740
274 6.3668 -915.7569 147.755
275 6.3869 -915.7569 147.770
276 6.4069 -915.7569 147.783
277 6.4269 -915.7569 147.797
278 6.4469 -915.7569 147.809
279 6.4670 -915.7569 147.822
280 6.4870 -915.7568 147.833
281 6.5070 -915.7568 147.845
282 6.5270 -915.7568 147.855
283 6.5471 -915.7568 147.866
284 6.5671 -915.7568 147.876
285 6.5871 -915.7568 147.886
286 6.6071 -915.7568 147.894
287 6.6272 -915.7568 147.903
288 6.6472 -915.7568 147.911
289 6.6672 -915.7568 147.919
290 6.6872 -915.7568 147.927
291 6.7073 -915.7568 147.935
292 6.7273 -915.7568 147.943
293 6.7473 -915.7568 147.950
294 6.7673 -915.7568 147.957
295 6.7874 -915.7568 147.964
296 6.8074 -915.7568 147.971
297 6.8274 -915.7568 147.977
298 6.8474 -915.7568 147.984
299 6.8675 -915.7568 147.990
300 6.8875 -915.7568 147.995
301 6.9075 -915.7568 148.001
302 6.9275 -915.7568 148.006
303 6.9476 -915.7568 148.012
304 6.9676 -915.7568 148.017
305 6.9876 -915.7568 148.022
306 7.0076 -915.7568 148.026
307 7.0277 -915.7568 148.031
308 7.0477 -915.7568 148.036
309 7.0677 -915.7568 148.040
310 7.0877 -915.7568 148.044
311 7.1078 -915.7568 148.048
312 7.1278 -915.7568 148.052
313 7.1478 -915.7568 148.056
314 7.1678 -915.7568 148.060
315 7.1879 -915.7568 148.063
316 7.2079 -915.7568 148.066
317 7.2279 -915.7568 148.070
318 7.2479 -915.7568 148.073
319 7.2680 -915.7568 148.076
320 7.2880 -915.7568 148.079
321 7.3080 -915.7568 148.082
322 7.3280 -915.7568 148.085
323 7.3481 -915.7568 148.088
324 7.3681 -915.7567 148.091
325 7.3881 -915.7567 148.094
326 7.4081 -915.7567 148.097
327 7.4282 -915.7567 148.099
328 7.4482 -915.7567 148.102
329 7.4682 -915.7567 148.105
330 7.4882 -915.7567 148.107
331 7.5083 -915.7567 148.110
332 7.5283 -915.7567 148.113
333 7.5483 -915.7567 148.115
334 7.5683 -915.7567 148.118
335 7.5884 -915.7567 148.120
336 7.6084 -915.7567 148.122
337 7.6284 -915.7567 148.125
338 7.6484 -915.7567 148.127
339 7.6685 -915.7567 148.129
340 7.6885 -915.7567 148.132
341 7.7085 -915.7567 148.134
342 7.7285 -915.7567 148.136
343 7.7486 -915.7567 148.138
344 7.7686 -915.7567 148.140
345 7.7886 -915.7567 148.142
346 7.8086 -915.7567 148.144
347 7.8287 -915.7567 148.146
348 7.8487 -915.7567 148.148
349 7.8687 -915.7567 148.150
350 7.8887 -915.7567 148.152
351 7.9088 -915.7567 148.154
352 7.9288 -915.7567 148.156
353 7.9488 -915.7567 148.158
354 7.9688 -915.7567 148.160
355 7.9889 -915.7567 148.162
356 8.0089 -915.7567 148.163
357 8.0289 -915.7567 148.165
358 8.0489 -915.7567 148.167
359 8.0690 -915.7567 148.169
360 8.0890 -915.7567 148.170
361 8.1090 -915.7567 148.172
362 8.1290 -915.7567 148.174
363 8.1491 -915.7567 148.175
364 8.1691 -915.7567 148.177
365 8.1891 -915.7567 148.179
366 8.2091 -915.7567 148.180
367 8.2292 -915.7567 148.182
368 8.2492 -915.7567 148.184
369 8.2692 -915.7567 148.185
370 8.2892 -915.7567 148.187
371 8.3093 -915.7567 148.188
372 8.3293 -915.7567 148.190
373 8.3493 -915.7567 148.192
374 8.3693 -915.7567 148.193
375 8.3894 -915.7567 148.195
376 8.4094 -915.7567 148.196
377 8.4294 -915.7567 148.198
378 8.4494 -915.7567 148.199
379 8.4695 -915.7567 148.201
380 8.4895 -915.7567 148.202
381 8.5095 -915.7567 148.204
382 8.5295 -915.7567 148.205
383 8.5496 -915.7567 148.207
384 8.5696 -915.7567 148.208
385 8.5896 -915.7567 148.209
386 8.6096 -915.7567 148.211
387 8.6297 -915.7567 148.212
388 8.6497 -915.7567 148.214
389 8.6697 -915.7567 148.215
390 8.6897 -915.7567 148.216
391 8.7098 -915.7567 148.218
392 8.7298 -915.7567 148.219
393 8.7498 -915.7567 148.220
394 8.7698 -915.7567 148.222
395 8.7899 -915.7567 148.223
396 8.8099 -915.7567 148.224
397 8.8299 -915.7567 148.226
398 8.8499 -915.7567 148.226
399 8.8700 -915.7567 148.228
400 8.8900 -915.7567 148.229
401 8.9100 -915.7567 148.231
402 8.9300 -915.7567 148.231
403 8.9501 -915.7567 148.233
404 8.9701 -915.7567 148.234
405 8.9901 -915.7567 148.235
406 9.0101 -915.7567 148.236
407 9.0302 -915.7567 148.237
408 9.0502 -915.7567 148.239
409 9.0702 -915.7567 148.239
410 9.0902 -915.7567 148.241
411 9.1103 -915.7567 148.242
412 9.1303 -915.7567 148.242
413 9.1503 -915.7567 148.244
414 9.1703 -915.7567 148.245
415 9.1904 -915.7567 148.246
416 9.2104 -915.7567 148.247
417 9.2304 -915.7567 148.248
418 9.2504 -915.7567 148.249
419 9.2705 -915.7567 148.250
420 9.2905 -915.7567 148.252
421 9.3105 -915.7567 148.252
422 9.3305 -915.7567 148.253
423 9.3506 -915.7567 148.254
424 9.3706 -915.7567 148.255
425 9.3906 -915.7567 148.256
426 9.4106 -915.7567 148.257
427 9.4307 -915.7567 148.257
428 9.4507 -915.7567 148.258
429 9.4707 -915.7567 148.260
430 9.4907 -915.7567 148.260
431 9.5108 -915.7567 148.261
432 9.5308 -915.7567 148.262
433 9.5508 -915.7567 148.263
434 9.5708 -915.7567 148.263
435 9.5909 -915.7567 148.264
436 9.6109 -915.7567 148.265
437 9.6309 -915.7567 148.266
438 9.6509 -915.7567 148.266
439 9.6710 -915.7567 148.267
440 9.6910 -915.7567 148.267
441 9.7110 -915.7567 148.269
442 9.7310 -915.7567 148.269
443 9.7511 -915.7567 148.270
444 9.7711 -915.7567 148.270
445 9.7911 -915.7567 148.271
446 9.8111 -915.7567 148.272
447 9.8312 -915.7567 148.272
448 9.8512 -915.7567 148.273
449 9.8712 -915.7567 148.274
450 9.8912 -915.7567 148.274
451 9.9113 -915.7567 148.275
452 9.9313 -915.7567 148.275
453 9.9513 -915.7567 148.275
454 9.9713 -915.7567 148.276
455 9.9914 -915.7567 148.276
456 10.0114 -915.7567 148.277
457 10.0314 -915.7567 148.277
458 10.0514 -915.7567 148.277
459 10.0715 -915.7567 148.278
460 10.0915 -915.7567 148.278
461 10.1115 -915.7567 148.278
462 10.1315 -915.7567 148.278
463 10.1516 -915.7567 148.279
464 10.1716 -915.7567 148.279
465 10.1916 -915.7567 148.279
466 10.2116 -915.7567 148.279
467 10.2317 -915.7567 148.279
468 10.2517 -915.7567 148.280
469 10.2717 -915.7567 148.280
470 10.2917 -915.7567 148.280
471 10.3118 -915.7567 148.280
472 10.3318 -915.7567 148.280
473 10.3518 -915.7567 148.312
474 10.3718 -915.7567 148.310
475 10.3919 -915.7567 148.310
476 10.4119 -915.7567 148.309
477 10.4319 -915.7567 148.310
478 10.4519 -915.7567 148.309
479 10.4720 -915.7567 148.309
480 10.4920 -915.7567 148.309
481 10.5120 -915.7567 148.310
482 10.5320 -915.7567 148.309
483 10.5521 -915.7567 148.309
484 10.5721 -915.7567 148.313
485 10.5921 -915.7567 148.313
486 10.6121 -915.7567 148.312
487 10.6322 -915.7567 148.312
488 10.6522 -915.7567 148.312
489 10.6722 -915.7567 148.312
490 10.6922 -915.7567 148.313
491 10.7123 -915.7567 148.312
492 10.7323 -915.7567 148.312
493 10.7523 -915.7567 148.313
494 10.7723 -915.7567 148.312
495 10.7924 -915.7567 148.312
496 10.8124 -915.7567 148.313
497 10.8324 -915.7567 148.313
498 10.8524 -915.7567 148.313
499 10.8725 -915.7567 148.318
500 10.8925 -915.7567 148.317
501 10.9125 -915.7567 148.317
502 10.9325 -915.7567 148.317
503 10.9526 -915.7567 148.316
504 10.9726 -915.7567 148.317
505 10.9926 -915.7567 148.316
506 11.0126 -915.7567 148.316
507 11.0327 -915.7567 148.317
508 11.0527 -915.7567 148.316
509 11.0727 -915.7567 148.316
510 11.0927 -915.7567 148.317
511 11.1128 -915.7567 148.316
512 11.1328 -915.7567 148.316
513 11.1528 -915.7567 148.321
514 11.1728 -915.7567 148.320
515 11.1929 -915.7567 148.320
516 11.2129 -915.7567 148.320
517 11.2329 -915.7567 148.319
518 11.2529 -915.7567 148.319
519 11.2730 -915.7567 148.320
520 11.2930 -915.7567 148.319
521 11.3130 -915.7567 148.319
522 11.3330 -915.7567 148.321
523 11.3531 -915.7567 148.320
524 11.3731 -915.7567 148.320
525 11.3931 -915.7567 148.320
526 11.4131 -915.7567 148.320
527 11.4332 -915.7567 148.320
528 11.4532 -915.7567 148.320
529 11.4732 -915.7567 148.321
530 11.4932 -915.7567 148.320
531 11.5133 -915.7567 148.320
532 11.5333 -915.7567 148.324
533 11.5533 -915.7567 148.323
534 11.5733 -915.7567 148.323
535 11.5934 -915.7567 148.323
536 11.6134 -915.7567 148.323
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