4-MeOPhN2+ TsO-

n d, A Eh E, kJ/mol
22 min 1.3205 -1350.3445 284.732
27 max 1.4207 -1350.3377 302.581
28 min 1.4407 -1350.3573 251.045
64 max 2.1616 -1350.3089 378.252
238 min 5.6459 -1350.4530 0.000
313 max 7.1478 -1350.4522 2.005
796 min 16.8199 -1350.4514 4.131

n d, A Eh E, kJ/mol
1 0.9000 -1349.9023 1445.902
2 0.9200 -1349.9655 1279.970
3 0.9401 -1350.0211 1133.920
4 0.9601 -1350.0699 1005.642
5 0.9801 -1350.1127 893.240
6 1.0001 -1350.1502 795.019
7 1.0202 -1350.1827 709.460
8 1.0402 -1350.2110 635.215
9 1.0602 -1350.2355 571.078
10 1.0802 -1350.2564 515.971
11 1.1003 -1350.2744 468.923
12 1.1203 -1350.2896 429.019
13 1.1403 -1350.3023 395.497
14 1.1603 -1350.3129 367.642
15 1.1804 -1350.3216 344.829
16 1.2004 -1350.3286 326.484
17 1.2204 -1350.3341 312.093
18 1.2404 -1350.3382 301.197
19 1.2605 -1350.3412 293.376
20 1.2805 -1350.3432 288.250
21 1.3005 -1350.3442 285.473
22 1.3205 -1350.3445 284.732
23 1.3406 -1350.3441 285.745
24 1.3606 -1350.3432 288.257
25 1.3806 -1350.3417 292.035
26 1.4006 -1350.3399 296.869
27 1.4207 -1350.3377 302.581
28 1.4407 -1350.3573 251.045
29 1.4607 -1350.3565 253.178
30 1.4807 -1350.3555 255.885
31 1.5008 -1350.3543 259.095
32 1.5208 -1350.3529 262.739
33 1.5408 -1350.3514 266.748
34 1.5608 -1350.3497 271.061
35 1.5809 -1350.3480 275.616
36 1.6009 -1350.3462 280.359
37 1.6209 -1350.3443 285.241
38 1.6409 -1350.3424 290.219
39 1.6610 -1350.3405 295.251
40 1.6810 -1350.3386 300.305
41 1.7010 -1350.3367 305.347
42 1.7210 -1350.3348 310.351
43 1.7411 -1350.3329 315.290
44 1.7611 -1350.3310 320.143
45 1.7811 -1350.3292 324.891
46 1.8011 -1350.3275 329.516
47 1.8212 -1350.3258 334.003
48 1.8412 -1350.3241 338.342
49 1.8612 -1350.3225 342.521
50 1.8812 -1350.3210 346.532
51 1.9013 -1350.3195 350.367
52 1.9213 -1350.3181 354.060
53 1.9413 -1350.3168 357.502
54 1.9613 -1350.3156 360.729
55 1.9814 -1350.3144 363.735
56 2.0014 -1350.3134 366.515
57 2.0214 -1350.3124 369.059
58 2.0414 -1350.3115 371.359
59 2.0615 -1350.3107 373.405
60 2.0815 -1350.3101 375.137
61 2.1015 -1350.3095 376.633
62 2.1215 -1350.3092 377.332
63 2.1416 -1350.3091 377.662
64 2.1616 -1350.3089 378.252
65 2.1816 -1350.3155 360.991
66 2.2016 -1350.3159 359.800
67 2.2217 -1350.3164 358.640
68 2.2417 -1350.3168 357.514
69 2.2617 -1350.3172 356.422
70 2.2817 -1350.3176 355.369
71 2.3018 -1350.3180 354.356
72 2.3218 -1350.3184 353.385
73 2.3418 -1350.3187 352.458
74 2.3618 -1350.3191 351.571
75 2.3819 -1350.3194 350.726
76 2.4019 -1350.3197 349.922
77 2.4219 -1350.3200 349.161
78 2.4419 -1350.3203 348.440
79 2.4620 -1350.3205 347.758
80 2.4820 -1350.3208 347.115
81 2.5020 -1350.3210 346.507
82 2.5220 -1350.3212 346.029
83 2.5421 -1350.3214 345.480
84 2.5621 -1350.3216 344.967
85 2.5821 -1350.3218 344.487
86 2.6021 -1350.3219 344.040
87 2.6222 -1350.3221 343.625
88 2.6422 -1350.3222 343.232
89 2.6622 -1350.3224 342.871
90 2.6822 -1350.3225 342.532
91 2.7023 -1350.3226 342.238
92 2.7223 -1350.3227 341.941
93 2.7423 -1350.3228 341.670
94 2.7623 -1350.3229 341.421
95 2.7824 -1350.3230 341.208
96 2.8024 -1350.3231 340.989
97 2.8224 -1350.3232 340.791
98 2.8424 -1350.3232 340.611
99 2.8625 -1350.3233 340.458
100 2.8825 -1350.3234 340.297
101 2.9025 -1350.3234 340.153
102 2.9225 -1350.3235 340.012
103 2.9426 -1350.3235 339.884
104 2.9626 -1350.3236 339.771
105 2.9826 -1350.3236 339.657
106 3.0026 -1350.3236 339.553
107 3.0227 -1350.3237 339.461
108 3.0427 -1350.3237 339.374
109 3.0627 -1350.3237 339.290
110 3.0827 -1350.3238 339.218
111 3.1028 -1350.3238 339.148
112 3.1228 -1350.3238 339.081
113 3.1428 -1350.3238 339.025
114 3.1628 -1350.3239 338.977
115 3.1829 -1350.3239 338.924
116 3.2029 -1350.3239 338.883
117 3.2229 -1350.3239 338.849
118 3.2429 -1350.3239 338.749
119 3.2630 -1350.3240 338.706
120 3.2830 -1350.3240 338.661
121 3.3030 -1350.3240 338.625
122 3.3230 -1350.3240 338.597
123 3.3431 -1350.3240 338.567
124 3.3631 -1350.3240 338.536
125 3.3831 -1350.3240 338.513
126 3.4031 -1350.3240 338.498
127 3.4232 -1350.3240 338.488
128 3.4432 -1350.3241 338.369
129 3.4632 -1350.3241 338.334
130 3.4832 -1350.3241 338.287
131 3.5033 -1350.3241 338.258
132 3.5233 -1350.3241 338.235
133 3.5433 -1350.3242 338.019
134 3.5633 -1350.3242 337.958
135 3.5834 -1350.4521 2.362
136 3.6034 -1350.4521 2.303
137 3.6234 -1350.4521 2.251
138 3.6434 -1350.4521 2.204
139 3.6635 -1350.4521 2.162
140 3.6835 -1350.4522 2.067
141 3.7035 -1350.4522 2.014
142 3.7235 -1350.4522 1.967
143 3.7436 -1350.4522 1.925
144 3.7636 -1350.4522 1.889
145 3.7836 -1350.4523 1.798
146 3.8036 -1350.4523 1.739
147 3.8237 -1350.4523 1.680
148 3.8437 -1350.4523 1.632
149 3.8637 -1350.4524 1.582
150 3.8837 -1350.4524 1.538
151 3.9038 -1350.4524 1.498
152 3.9238 -1350.4524 1.450
153 3.9438 -1350.4524 1.403
154 3.9638 -1350.4524 1.368
155 3.9839 -1350.4525 1.307
156 4.0039 -1350.4525 1.265
157 4.0239 -1350.4525 1.193
158 4.0439 -1350.4525 1.143
159 4.0640 -1350.4525 1.097
160 4.0840 -1350.4526 1.039
161 4.1040 -1350.4526 0.994
162 4.1240 -1350.4526 0.934
163 4.1441 -1350.4526 0.887
164 4.1641 -1350.4527 0.825
165 4.1841 -1350.4527 0.776
166 4.2041 -1350.4527 0.727
167 4.2242 -1350.4527 0.679
168 4.2442 -1350.4527 0.636
169 4.2642 -1350.4527 0.596
170 4.2842 -1350.4528 0.549
171 4.3043 -1350.4528 0.516
172 4.3243 -1350.4528 0.485
173 4.3443 -1350.4528 0.458
174 4.3643 -1350.4528 0.433
175 4.3844 -1350.4528 0.412
176 4.4044 -1350.4528 0.393
177 4.4244 -1350.4528 0.376
178 4.4444 -1350.4528 0.362
179 4.4645 -1350.4528 0.349
180 4.4845 -1350.4528 0.338
181 4.5045 -1350.4528 0.329
182 4.5245 -1350.4528 0.321
183 4.5446 -1350.4528 0.314
184 4.5646 -1350.4528 0.308
185 4.5846 -1350.4529 0.302
186 4.6046 -1350.4529 0.298
187 4.6247 -1350.4529 0.294
188 4.6447 -1350.4529 0.290
189 4.6647 -1350.4529 0.285
190 4.6847 -1350.4529 0.281
191 4.7048 -1350.4529 0.276
192 4.7248 -1350.4529 0.271
193 4.7448 -1350.4529 0.265
194 4.7648 -1350.4529 0.260
195 4.7849 -1350.4529 0.251
196 4.8049 -1350.4529 0.244
197 4.8249 -1350.4529 0.237
198 4.8449 -1350.4529 0.229
199 4.8650 -1350.4529 0.222
200 4.8850 -1350.4529 0.215
201 4.9050 -1350.4529 0.210
202 4.9250 -1350.4529 0.204
203 4.9451 -1350.4529 0.199
204 4.9651 -1350.4529 0.194
205 4.9851 -1350.4529 0.189
206 5.0051 -1350.4529 0.185
207 5.0252 -1350.4529 0.181
208 5.0452 -1350.4529 0.176
209 5.0652 -1350.4529 0.172
210 5.0852 -1350.4529 0.168
211 5.1053 -1350.4529 0.161
212 5.1253 -1350.4529 0.155
213 5.1453 -1350.4529 0.149
214 5.1653 -1350.4529 0.143
215 5.1854 -1350.4529 0.136
216 5.2054 -1350.4529 0.129
217 5.2254 -1350.4529 0.122
218 5.2454 -1350.4529 0.113
219 5.2655 -1350.4529 0.104
220 5.2855 -1350.4529 0.096
221 5.3055 -1350.4529 0.087
222 5.3255 -1350.4529 0.078
223 5.3456 -1350.4529 0.071
224 5.3656 -1350.4529 0.064
225 5.3856 -1350.4529 0.057
226 5.4056 -1350.4529 0.051
227 5.4257 -1350.4529 0.046
228 5.4457 -1350.4530 0.041
229 5.4657 -1350.4530 0.036
230 5.4857 -1350.4530 0.032
231 5.5058 -1350.4530 0.027
232 5.5258 -1350.4530 0.025
233 5.5458 -1350.4530 0.013
234 5.5658 -1350.4530 0.009
235 5.5859 -1350.4530 0.005
236 5.6059 -1350.4530 0.002
237 5.6259 -1350.4530 0.001
238 5.6459 -1350.4530 0.000
239 5.6660 -1350.4530 0.000
240 5.6860 -1350.4530 0.002
241 5.7060 -1350.4530 0.004
242 5.7260 -1350.4530 0.007
243 5.7461 -1350.4530 0.012
244 5.7661 -1350.4530 0.017
245 5.7861 -1350.4530 0.026
246 5.8061 -1350.4530 0.032
247 5.8262 -1350.4530 0.040
248 5.8462 -1350.4529 0.053
249 5.8662 -1350.4529 0.065
250 5.8862 -1350.4529 0.076
251 5.9063 -1350.4529 0.089
252 5.9263 -1350.4529 0.108
253 5.9463 -1350.4529 0.123
254 5.9663 -1350.4529 0.047
255 5.9864 -1350.4529 0.056
256 6.0064 -1350.4529 0.072
257 6.0264 -1350.4529 0.087
258 6.0464 -1350.4529 0.106
259 6.0665 -1350.4529 0.125
260 6.0865 -1350.4529 0.150
261 6.1065 -1350.4529 0.171
262 6.1265 -1350.4529 0.200
263 6.1466 -1350.4529 0.140
264 6.1666 -1350.4529 0.152
265 6.1866 -1350.4529 0.165
266 6.2066 -1350.4529 0.183
267 6.2267 -1350.4529 0.204
268 6.2467 -1350.4529 0.214
269 6.2667 -1350.4529 0.232
270 6.2867 -1350.4529 0.252
271 6.3068 -1350.4529 0.279
272 6.3268 -1350.4529 0.294
273 6.3468 -1350.4528 0.319
274 6.3668 -1350.4528 0.340
275 6.3869 -1350.4528 0.368
276 6.4069 -1350.4528 0.391
277 6.4269 -1350.4528 0.421
278 6.4469 -1350.4528 0.448
279 6.4670 -1350.4528 0.480
280 6.4870 -1350.4528 0.506
281 6.5070 -1350.4528 0.541
282 6.5270 -1350.4527 0.568
283 6.5471 -1350.4527 0.603
284 6.5671 -1350.4527 0.643
285 6.5871 -1350.4527 0.668
286 6.6071 -1350.4527 0.707
287 6.6272 -1350.4527 0.751
288 6.6472 -1350.4527 0.775
289 6.6672 -1350.4527 0.818
290 6.6872 -1350.4526 0.866
291 6.7073 -1350.4526 0.916
292 6.7273 -1350.4526 0.968
293 6.7473 -1350.4526 0.991
294 6.7673 -1350.4526 1.041
295 6.7874 -1350.4525 1.093
296 6.8074 -1350.4525 1.148
297 6.8274 -1350.4525 1.204
298 6.8474 -1350.4525 1.261
299 6.8675 -1350.4525 1.318
300 6.8875 -1350.4524 1.374
301 6.9075 -1350.4524 1.416
302 6.9275 -1350.4524 1.468
303 6.9476 -1350.4524 1.519
304 6.9676 -1350.4524 1.570
305 6.9876 -1350.4523 1.618
306 7.0076 -1350.4523 1.665
307 7.0277 -1350.4523 1.713
308 7.0477 -1350.4523 1.761
309 7.0677 -1350.4523 1.811
310 7.0877 -1350.4523 1.861
311 7.1078 -1350.4522 1.911
312 7.1278 -1350.4522 1.956
313 7.1478 -1350.4522 2.005
314 7.1678 -1350.4522 1.957
315 7.1879 -1350.4522 1.960
316 7.2079 -1350.4522 1.965
317 7.2279 -1350.4522 1.977
318 7.2479 -1350.4522 1.979
319 7.2680 -1350.4522 1.984
320 7.2880 -1350.4522 1.991
321 7.3080 -1350.4522 2.007
322 7.3280 -1350.4522 2.012
323 7.3481 -1350.4522 2.020
324 7.3681 -1350.4522 2.030
325 7.3881 -1350.4522 2.047
326 7.4081 -1350.4522 2.054
327 7.4282 -1350.4522 2.064
328 7.4482 -1350.4522 2.076
329 7.4682 -1350.4522 2.096
330 7.4882 -1350.4522 2.103
331 7.5083 -1350.4522 2.114
332 7.5283 -1350.4522 2.134
333 7.5483 -1350.4521 2.142
334 7.5683 -1350.4521 2.153
335 7.5884 -1350.4521 2.173
336 7.6084 -1350.4521 2.182
337 7.6284 -1350.4521 2.194
338 7.6484 -1350.4521 2.216
339 7.6685 -1350.4521 2.223
340 7.6885 -1350.4521 2.245
341 7.7085 -1350.4521 2.250
342 7.7285 -1350.4521 2.266
343 7.7486 -1350.4521 2.271
344 7.7686 -1350.4521 2.278
345 7.7886 -1350.4521 2.294
346 7.8086 -1350.4521 2.297
347 7.8287 -1350.4521 2.309
348 7.8487 -1350.4521 2.309
349 7.8687 -1350.4521 2.317
350 7.8887 -1350.4521 2.320
351 7.9088 -1350.4521 2.328
352 7.9288 -1350.4521 2.331
353 7.9488 -1350.4521 2.340
354 7.9688 -1350.4521 2.340
355 7.9889 -1350.4521 2.346
356 8.0089 -1350.4521 2.345
357 8.0289 -1350.4521 2.350
358 8.0489 -1350.4521 2.346
359 8.0690 -1350.4521 2.343
360 8.0890 -1350.4521 2.346
361 8.1090 -1350.4521 2.342
362 8.1290 -1350.4521 2.339
363 8.1491 -1350.4521 2.341
364 8.1691 -1350.4521 2.337
365 8.1891 -1350.4521 2.334
366 8.2091 -1350.4521 2.333
367 8.2292 -1350.4521 2.328
368 8.2492 -1350.4521 2.325
369 8.2692 -1350.4521 2.321
370 8.2892 -1350.4521 2.318
371 8.3093 -1350.4521 2.316
372 8.3293 -1350.4521 2.318
373 8.3493 -1350.4521 2.314
374 8.3693 -1350.4521 2.313
375 8.3894 -1350.4521 2.313
376 8.4094 -1350.4521 2.312
377 8.4294 -1350.4521 2.314
378 8.4494 -1350.4521 2.312
379 8.4695 -1350.4521 2.313
380 8.4895 -1350.4521 2.315
381 8.5095 -1350.4521 2.319
382 8.5295 -1350.4521 2.323
383 8.5496 -1350.4521 2.310
384 8.5696 -1350.4521 2.305
385 8.5896 -1350.4521 2.306
386 8.6096 -1350.4521 2.309
387 8.6297 -1350.4521 2.313
388 8.6497 -1350.4521 2.317
389 8.6697 -1350.4521 2.292
390 8.6897 -1350.4521 2.292
391 8.7098 -1350.4521 2.294
392 8.7298 -1350.4521 2.289
393 8.7498 -1350.4521 2.290
394 8.7698 -1350.4521 2.286
395 8.7899 -1350.4521 2.288
396 8.8099 -1350.4521 2.292
397 8.8299 -1350.4521 2.284
398 8.8499 -1350.4521 2.287
399 8.8700 -1350.4521 2.290
400 8.8900 -1350.4521 2.277
401 8.9100 -1350.4521 2.278
402 8.9300 -1350.4521 2.281
403 8.9501 -1350.4521 2.287
404 8.9701 -1350.4521 2.294
405 8.9901 -1350.4521 2.302
406 9.0101 -1350.4521 2.307
407 9.0302 -1350.4521 2.316
408 9.0502 -1350.4521 2.326
409 9.0702 -1350.4521 2.337
410 9.0902 -1350.4521 2.343
411 9.1103 -1350.4521 2.355
412 9.1303 -1350.4521 2.367
413 9.1503 -1350.4521 2.379
414 9.1703 -1350.4521 2.309
415 9.1904 -1350.4521 2.319
416 9.2104 -1350.4521 2.331
417 9.2304 -1350.4521 2.339
418 9.2504 -1350.4521 2.352
419 9.2705 -1350.4521 2.361
420 9.2905 -1350.4521 2.375
421 9.3105 -1350.4521 2.385
422 9.3305 -1350.4521 2.399
423 9.3506 -1350.4520 2.408
424 9.3706 -1350.4520 2.422
425 9.3906 -1350.4520 2.431
426 9.4106 -1350.4520 2.445
427 9.4307 -1350.4520 2.453
428 9.4507 -1350.4520 2.466
429 9.4707 -1350.4520 2.473
430 9.4907 -1350.4520 2.486
431 9.5108 -1350.4520 2.492
432 9.5308 -1350.4520 2.504
433 9.5508 -1350.4520 2.517
434 9.5708 -1350.4520 2.521
435 9.5909 -1350.4520 2.534
436 9.6109 -1350.4520 2.547
437 9.6309 -1350.4520 2.527
438 9.6509 -1350.4520 2.543
439 9.6710 -1350.4520 2.556
440 9.6910 -1350.4520 2.568
441 9.7110 -1350.4520 2.570
442 9.7310 -1350.4520 2.583
443 9.7511 -1350.4520 2.594
444 9.7711 -1350.4520 2.587
445 9.7911 -1350.4520 2.596
446 9.8111 -1350.4520 2.606
447 9.8312 -1350.4520 2.573
448 9.8512 -1350.4520 2.583
449 9.8712 -1350.4520 2.585
450 9.8912 -1350.4520 2.595
451 9.9113 -1350.4520 2.596
452 9.9313 -1350.4520 2.606
453 9.9513 -1350.4520 2.615
454 9.9713 -1350.4520 2.614
455 9.9914 -1350.4520 2.625
456 10.0114 -1350.4520 2.633
457 10.0314 -1350.4520 2.645
458 10.0514 -1350.4520 2.657
459 10.0715 -1350.4519 2.669
460 10.0915 -1350.4519 2.682
461 10.1115 -1350.4519 2.694
462 10.1315 -1350.4520 2.498
463 10.1516 -1350.4520 2.508
464 10.1716 -1350.4520 2.516
465 10.1916 -1350.4520 2.526
466 10.2116 -1350.4520 2.534
467 10.2317 -1350.4520 2.547
468 10.2517 -1350.4520 2.542
469 10.2717 -1350.4520 2.553
470 10.2917 -1350.4520 2.563
471 10.3118 -1350.4520 2.574
472 10.3318 -1350.4520 2.587
473 10.3518 -1350.4520 2.597
474 10.3718 -1350.4520 2.601
475 10.3919 -1350.4520 2.613
476 10.4119 -1350.4520 2.627
477 10.4319 -1350.4520 2.641
478 10.4519 -1350.4520 2.656
479 10.4720 -1350.4519 2.672
480 10.4920 -1350.4519 2.689
481 10.5120 -1350.4519 2.706
482 10.5320 -1350.4519 2.712
483 10.5521 -1350.4519 2.732
484 10.5721 -1350.4519 2.751
485 10.5921 -1350.4519 2.771
486 10.6121 -1350.4519 2.791
487 10.6322 -1350.4519 2.812
488 10.6522 -1350.4519 2.834
489 10.6722 -1350.4519 2.841
490 10.6922 -1350.4519 2.863
491 10.7123 -1350.4519 2.886
492 10.7323 -1350.4519 2.910
493 10.7523 -1350.4518 2.933
494 10.7723 -1350.4518 2.957
495 10.7924 -1350.4518 2.982
496 10.8124 -1350.4518 3.006
497 10.8324 -1350.4518 3.031
498 10.8524 -1350.4518 3.055
499 10.8725 -1350.4518 3.081
500 10.8925 -1350.4518 3.104
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