4-NO2PhN2+ OAc-

n d, A Eh E, kJ/mol
26 min 1.4340 -774.0375 287.123
51 max 1.9681 -773.9868 420.264
147 min 4.0188 -774.1468 0.000

n d, A Eh E, kJ/mol
1 0.9000 -773.5538 1557.043
2 0.9214 -773.6188 1386.287
3 0.9427 -773.6757 1236.914
4 0.9641 -773.7255 1106.310
5 0.9854 -773.7690 991.949
6 1.0068 -773.8087 887.860
7 1.0282 -773.8431 797.444
8 1.0495 -773.8730 718.891
9 1.0709 -773.8989 650.896
10 1.0923 -773.9213 592.240
11 1.1136 -773.9405 541.670
12 1.1350 -773.9571 498.135
13 1.1563 -773.9717 459.978
14 1.1777 -773.9844 426.394
15 1.1991 -773.9954 397.594
16 1.2204 -774.0047 373.191
17 1.2418 -774.0125 352.741
18 1.2632 -774.0189 335.816
19 1.2845 -774.0242 322.021
20 1.3059 -774.0284 310.997
21 1.3272 -774.0317 302.418
22 1.3486 -774.0341 295.995
23 1.3700 -774.0358 291.471
24 1.3913 -774.0369 288.617
25 1.4127 -774.0374 287.227
26 1.4340 -774.0375 287.123
27 1.4554 -774.0371 288.135
28 1.4768 -774.0363 290.124
29 1.4981 -774.0353 292.953
30 1.5195 -774.0339 296.505
31 1.5409 -774.0323 300.676
32 1.5622 -774.0305 305.371
33 1.5836 -774.0286 310.510
34 1.6049 -774.0265 316.018
35 1.6263 -774.0243 321.832
36 1.6477 -774.0220 327.894
37 1.6690 -774.0196 334.152
38 1.6904 -774.0171 340.561
39 1.7117 -774.0147 347.080
40 1.7331 -774.0121 353.670
41 1.7545 -774.0096 360.302
42 1.7758 -774.0071 366.941
43 1.7972 -774.0046 373.565
44 1.8186 -774.0021 380.146
45 1.8399 -773.9996 386.659
46 1.8613 -773.9971 393.074
47 1.8826 -773.9947 399.350
48 1.9040 -773.9924 405.406
49 1.9254 -773.9903 410.992
50 1.9467 -773.9884 416.047
51 1.9681 -773.9868 420.264
52 1.9895 -774.0019 380.587
53 2.0108 -774.0025 378.885
54 2.0322 -774.0032 377.177
55 2.0535 -774.0038 375.467
56 2.0749 -774.0045 373.763
57 2.0963 -774.0051 372.078
58 2.1176 -774.0058 370.417
59 2.1390 -774.0064 368.793
60 2.1603 -774.0070 367.206
61 2.1817 -774.0076 365.666
62 2.2031 -774.0081 364.173
63 2.2244 -774.0087 362.733
64 2.2458 -774.0092 361.347
65 2.2672 -774.0097 360.018
66 2.2885 -774.0102 358.748
67 2.3099 -774.0107 357.535
68 2.3312 -774.0111 356.381
69 2.3526 -774.0115 355.286
70 2.3740 -774.0119 354.247
71 2.3953 -774.0123 353.265
72 2.4167 -774.0126 352.339
73 2.4381 -774.0130 351.461
74 2.4594 -774.0133 350.637
75 2.4808 -774.0136 349.864
76 2.5021 -774.0139 349.139
77 2.5235 -774.0141 348.460
78 2.5449 -774.0144 347.825
79 2.5662 -774.0146 347.231
80 2.5876 -774.0148 346.677
81 2.6089 -774.0150 346.161
82 2.6303 -774.0152 345.679
83 2.6517 -774.0154 345.212
84 2.6730 -774.0155 344.796
85 2.6944 -774.0157 344.412
86 2.7158 -774.0158 344.055
87 2.7371 -774.0159 343.700
88 2.7585 -774.0161 343.393
89 2.7798 -774.0162 343.110
90 2.8012 -774.0163 342.820
91 2.8226 -774.0164 342.575
92 2.8439 -774.0165 342.349
93 2.8653 -774.0165 342.097
94 2.8866 -774.0166 341.898
95 2.9080 -774.0167 341.719
96 2.9294 -774.0168 341.491
97 2.9507 -774.0168 341.328
98 2.9721 -774.0169 341.129
99 2.9935 -774.0170 340.987
100 3.0148 -774.0170 340.855
101 3.0362 -774.0171 340.699
102 3.0575 -774.0171 340.583
103 3.0789 -774.0172 340.437
104 3.1003 -774.0172 340.333
105 3.1216 -774.0173 340.188
106 3.1430 -774.0173 340.096
107 3.1644 -774.0174 339.978
108 3.1857 -774.0174 339.894
109 3.2071 -774.0174 339.758
110 3.2284 -774.0175 339.665
111 3.2498 -774.0175 339.586
112 3.2712 -774.0176 339.438
113 3.2925 -774.0176 339.332
114 3.3139 -774.0177 339.202
115 3.3352 -774.0177 339.077
116 3.3566 -774.1464 1.221
117 3.3780 -774.1464 1.125
118 3.3993 -774.1465 1.038
119 3.4207 -774.1465 0.955
120 3.4421 -774.1465 0.883
121 3.4634 -774.1465 0.818
122 3.4848 -774.1466 0.760
123 3.5061 -774.1466 0.695
124 3.5275 -774.1466 0.643
125 3.5489 -774.1466 0.597
126 3.5702 -774.1466 0.525
127 3.5916 -774.1467 0.479
128 3.6130 -774.1467 0.439
129 3.6343 -774.1467 0.394
130 3.6557 -774.1467 0.358
131 3.6770 -774.1467 0.326
132 3.6984 -774.1467 0.296
133 3.7198 -774.1467 0.265
134 3.7411 -774.1468 0.238
135 3.7625 -774.1468 0.215
136 3.7838 -774.1468 0.120
137 3.8052 -774.1468 0.096
138 3.8266 -774.1468 0.073
139 3.8479 -774.1468 0.056
140 3.8693 -774.1468 0.037
141 3.8907 -774.1468 0.026
142 3.9120 -774.1468 0.017
143 3.9334 -774.1468 0.013
144 3.9547 -774.1468 0.008
145 3.9761 -774.1468 0.008
146 3.9975 -774.1468 0.012
147 4.0188 -774.1468 0.000
148 4.0402 -774.1468 0.005
149 4.0615 -774.1468 0.010
150 4.0829 -774.1468 0.017
151 4.1043 -774.1468 0.026
152 4.1256 -774.1468 0.037
153 4.1470 -774.1468 0.047
154 4.1684 -774.1468 0.050
155 4.1897 -774.1468 0.060
156 4.2111 -774.1468 0.070
157 4.2324 -774.1468 0.080
158 4.2538 -774.1468 0.088
159 4.2752 -774.1468 0.094
160 4.2965 -774.1468 0.100
161 4.3179 -774.1468 0.105
162 4.3393 -774.1468 0.109
163 4.3606 -774.1468 0.114
164 4.3820 -774.1468 0.120
165 4.4033 -774.1468 0.125
166 4.4247 -774.1468 0.132
167 4.4461 -774.1468 0.139
168 4.4674 -774.1468 0.147
169 4.4888 -774.1468 0.156
170 4.5101 -774.1468 0.165
171 4.5315 -774.1468 0.175
172 4.5529 -774.1468 0.185
173 4.5742 -774.1468 0.196
174 4.5956 -774.1468 0.206
175 4.6170 -774.1468 0.215
176 4.6383 -774.1468 0.185
177 4.6597 -774.1468 0.194
178 4.6810 -774.1468 0.200
179 4.7024 -774.1468 0.205
180 4.7238 -774.1468 0.210
181 4.7451 -774.1468 0.215
182 4.7665 -774.1468 0.220
183 4.7879 -774.1468 0.223
184 4.8092 -774.1468 0.227
185 4.8306 -774.1468 0.231
186 4.8519 -774.1468 0.235
187 4.8733 -774.1468 0.239
188 4.8947 -774.1468 0.243
189 4.9160 -774.1468 0.247
190 4.9374 -774.1468 0.252
191 4.9587 -774.1467 0.257
192 4.9801 -774.1467 0.261
193 5.0015 -774.1467 0.266
194 5.0228 -774.1467 0.270
195 5.0442 -774.1467 0.273
196 5.0656 -774.1467 0.278
197 5.0869 -774.1467 0.282
198 5.1083 -774.1467 0.287
199 5.1296 -774.1467 0.291
200 5.1510 -774.1467 0.296
201 5.1724 -774.1467 0.301
202 5.1937 -774.1467 0.306
203 5.2151 -774.1467 0.311
204 5.2364 -774.1467 0.316
205 5.2578 -774.1467 0.322
206 5.2792 -774.1467 0.327
207 5.3005 -774.1467 0.332
208 5.3219 -774.1467 0.337
209 5.3433 -774.1467 0.342
210 5.3646 -774.1467 0.346
211 5.3860 -774.1467 0.351
212 5.4073 -774.1467 0.355
213 5.4287 -774.1467 0.358
214 5.4501 -774.1467 0.361
215 5.4714 -774.1467 0.362
216 5.4928 -774.1467 0.350
217 5.5142 -774.1467 0.349
218 5.5355 -774.1467 0.347
219 5.5569 -774.1467 0.344
220 5.5782 -774.1467 0.341
221 5.5996 -774.1467 0.331
222 5.6210 -774.1467 0.328
223 5.6423 -774.1467 0.324
224 5.6637 -774.1467 0.321
225 5.6850 -774.1467 0.317
226 5.7064 -774.1467 0.314
227 5.7278 -774.1467 0.311
228 5.7491 -774.1467 0.308
229 5.7705 -774.1467 0.303
230 5.7919 -774.1467 0.299
231 5.8132 -774.1467 0.296
232 5.8346 -774.1467 0.293
233 5.8559 -774.1467 0.289
234 5.8773 -774.1467 0.286
235 5.8987 -774.1467 0.283
236 5.9200 -774.1467 0.279
237 5.9414 -774.1467 0.275
238 5.9628 -774.1467 0.272
239 5.9841 -774.1467 0.268
240 6.0055 -774.1467 0.264
241 6.0268 -774.1467 0.260
242 6.0482 -774.1468 0.256
243 6.0696 -774.1468 0.252
244 6.0909 -774.1468 0.248
245 6.1123 -774.1468 0.244
246 6.1336 -774.1468 0.241
247 6.1550 -774.1468 0.238
248 6.1764 -774.1468 0.235
249 6.1977 -774.1468 0.233
250 6.2191 -774.1468 0.231
251 6.2405 -774.1468 0.229
252 6.2618 -774.1468 0.228
253 6.2832 -774.1468 0.226
254 6.3045 -774.1468 0.226
255 6.3259 -774.1468 0.224
256 6.3473 -774.1468 0.223
257 6.3686 -774.1468 0.223
258 6.3900 -774.1468 0.222
259 6.4113 -774.1468 0.220
260 6.4327 -774.1468 0.221
261 6.4541 -774.1468 0.220
262 6.4754 -774.1468 0.220
263 6.4968 -774.1468 0.222
264 6.5182 -774.1468 0.226
265 6.5395 -774.1468 0.230
266 6.5609 -774.1468 0.219
267 6.5822 -774.1468 0.219
268 6.6036 -774.1468 0.220
269 6.6250 -774.1468 0.221
270 6.6463 -774.1468 0.222
271 6.6677 -774.1468 0.223
272 6.6891 -774.1468 0.225
273 6.7104 -774.1468 0.226
274 6.7318 -774.1468 0.228
275 6.7531 -774.1468 0.226
276 6.7745 -774.1468 0.226
277 6.7959 -774.1468 0.229
278 6.8172 -774.1468 0.233
279 6.8386 -774.1468 0.237
280 6.8599 -774.1468 0.243
281 6.8813 -774.1468 0.248
282 6.9027 -774.1468 0.256
283 6.9240 -774.1467 0.264
284 6.9454 -774.1467 0.270
285 6.9668 -774.1467 0.280
286 6.9881 -774.1467 0.288
287 7.0095 -774.1467 0.299
288 7.0308 -774.1467 0.306
289 7.0522 -774.1467 0.315
290 7.0736 -774.1467 0.325
291 7.0949 -774.1467 0.336
292 7.1163 -774.1467 0.347
293 7.1377 -774.1467 0.359
294 7.1590 -774.1467 0.371
295 7.1804 -774.1467 0.384
296 7.2017 -774.1467 0.389
297 7.2231 -774.1467 0.402
298 7.2445 -774.1467 0.415
299 7.2658 -774.1467 0.429
300 7.2872 -774.1467 0.444
301 7.3085 -774.1467 0.399
302 7.3299 -774.1467 0.410
303 7.3513 -774.1467 0.422
304 7.3726 -774.1467 0.435
305 7.3940 -774.1467 0.446
306 7.4154 -774.1467 0.460
307 7.4367 -774.1467 0.473
308 7.4581 -774.1467 0.488
309 7.4794 -774.1467 0.504
310 7.5008 -774.1466 0.520
311 7.5222 -774.1466 0.535
312 7.5435 -774.1466 0.552
313 7.5649 -774.1466 0.567
314 7.5862 -774.1466 0.585
315 7.6076 -774.1466 0.601
316 7.6290 -774.1466 0.619
317 7.6503 -774.1466 0.638
318 7.6717 -774.1466 0.657
319 7.6931 -774.1466 0.676
320 7.7144 -774.1466 0.690
321 7.7358 -774.1466 0.709
322 7.7571 -774.1466 0.729
323 7.7785 -774.1466 0.745
324 7.7999 -774.1466 0.765
325 7.8212 -774.1465 0.785
326 7.8426 -774.1465 0.805
327 7.8640 -774.1465 0.825
328 7.8853 -774.1465 0.847
329 7.9067 -774.1465 0.864
330 7.9280 -774.1465 0.886
331 7.9494 -774.1465 0.908
332 7.9708 -774.1465 0.931
333 7.9921 -774.1465 0.955
334 8.0135 -774.1465 0.979
335 8.0348 -774.1465 1.004
336 8.0562 -774.1465 1.029
337 8.0776 -774.1464 1.055
338 8.0989 -774.1464 1.081
339 8.1203 -774.1464 1.107
340 8.1417 -774.1464 1.134
341 8.1630 -774.1464 1.133
342 8.1844 -774.1464 1.158
343 8.2057 -774.1464 1.184
344 8.2271 -774.1464 1.210
345 8.2485 -774.1464 1.236
346 8.2698 -774.1464 1.262
347 8.2912 -774.1464 1.288
348 8.3126 -774.1463 1.314
349 8.3339 -774.1463 1.340
350 8.3553 -774.1463 1.366
351 8.3766 -774.1463 1.391
352 8.3980 -774.1463 1.416
353 8.4194 -774.1463 1.441
354 8.4407 -774.1463 1.466
355 8.4621 -774.1463 1.490
356 8.4834 -774.1463 1.515
357 8.5048 -774.1463 1.539
358 8.5262 -774.1463 1.563
359 8.5475 -774.1462 1.586
360 8.5689 -774.1462 1.610
361 8.5903 -774.1462 1.632
362 8.6116 -774.1462 1.654
363 8.6330 -774.1462 1.676
364 8.6543 -774.1462 1.696
365 8.6757 -774.1462 1.716
366 8.6971 -774.1462 1.734
367 8.7184 -774.1462 1.752
368 8.7398 -774.1462 1.769
369 8.7611 -774.1462 1.786
370 8.7825 -774.1462 1.802
371 8.8039 -774.1462 1.817
372 8.8252 -774.1461 1.832
373 8.8466 -774.1461 1.847
374 8.8680 -774.1461 1.862
375 8.8893 -774.1461 1.876
376 8.9107 -774.1461 1.890
377 8.9320 -774.1461 1.905
378 8.9534 -774.1461 1.919
379 8.9748 -774.1461 1.932
380 8.9961 -774.1461 1.946
381 9.0175 -774.1461 1.959
382 9.0389 -774.1461 1.971
383 9.0602 -774.1461 1.984
384 9.0816 -774.1461 1.995
385 9.1029 -774.1461 2.006
386 9.1243 -774.1461 2.016
387 9.1457 -774.1461 2.025
388 9.1670 -774.1461 2.033
389 9.1884 -774.1461 2.041
390 9.2097 -774.1461 2.048
391 9.2311 -774.1461 2.055
392 9.2525 -774.1461 2.061
393 9.2738 -774.1461 2.066
394 9.2952 -774.1461 2.072
395 9.3166 -774.1461 2.077
396 9.3379 -774.1461 2.083
397 9.3593 -774.1461 2.088
398 9.3806 -774.1461 2.093
399 9.4020 -774.1460 2.099
400 9.4234 -774.1460 2.104
401 9.4447 -774.1460 2.109
402 9.4661 -774.1460 2.114
403 9.4874 -774.1460 2.119
404 9.5088 -774.1460 2.124
405 9.5302 -774.1460 2.129
406 9.5515 -774.1460 2.134
407 9.5729 -774.1460 2.139
408 9.5943 -774.1460 2.143
409 9.6156 -774.1460 2.148
410 9.6370 -774.1460 2.152
411 9.6583 -774.1460 2.156
412 9.6797 -774.1460 2.160
413 9.7011 -774.1460 2.163
414 9.7224 -774.1460 2.167
415 9.7438 -774.1460 2.170
416 9.7652 -774.1460 2.173
417 9.7865 -774.1460 2.177
418 9.8079 -774.1460 2.180
419 9.8292 -774.1460 2.182
420 9.8506 -774.1460 2.185
421 9.8720 -774.1460 2.188
422 9.8933 -774.1460 2.191
423 9.9147 -774.1460 2.194
424 9.9360 -774.1460 2.196
425 9.9574 -774.1460 2.199
426 9.9788 -774.1460 2.202
427 10.0001 -774.1460 2.204
428 10.0215 -774.1460 2.207
429 10.0429 -774.1460 2.209
430 10.0642 -774.1460 2.212
431 10.0856 -774.1460 2.214
432 10.1069 -774.1460 2.217
433 10.1283 -774.1460 2.219
434 10.1497 -774.1460 2.222
435 10.1710 -774.1460 2.224
436 10.1924 -774.1460 2.226
437 10.2138 -774.1460 2.229
438 10.2351 -774.1460 2.231
439 10.2565 -774.1460 2.233
440 10.2778 -774.1460 2.236
441 10.2992 -774.1460 2.238
442 10.3206 -774.1460 2.240
443 10.3419 -774.1460 2.242
444 10.3633 -774.1460 2.244
445 10.3846 -774.1460 2.247
446 10.4060 -774.1460 2.249
447 10.4274 -774.1460 2.251
448 10.4487 -774.1460 2.253
449 10.4701 -774.1460 2.254
450 10.4915 -774.1460 2.256
451 10.5128 -774.1460 2.258
452 10.5342 -774.1460 2.260
453 10.5555 -774.1460 2.262
454 10.5769 -774.1460 2.264
455 10.5983 -774.1460 2.266
456 10.6196 -774.1460 2.268
457 10.6410 -774.1460 2.270
458 10.6623 -774.1460 2.271
459 10.6837 -774.1460 2.273
460 10.7051 -774.1460 2.275
461 10.7264 -774.1460 2.277
462 10.7478 -774.1460 2.278
463 10.7692 -774.1460 2.295
464 10.7905 -774.1460 2.296
465 10.8119 -774.1460 2.297
466 10.8332 -774.1460 2.299
467 10.8546 -774.1460 2.300
468 10.8760 -774.1460 2.301
469 10.8973 -774.1460 2.302
470 10.9187 -774.1460 2.304
471 10.9401 -774.1460 2.305
472 10.9614 -774.1460 2.306
473 10.9828 -774.1460 2.308
474 11.0041 -774.1460 2.309
475 11.0255 -774.1460 2.310
476 11.0469 -774.1460 2.311
477 11.0682 -774.1460 2.312
478 11.0896 -774.1460 2.313
479 11.1109 -774.1460 2.315
480 11.1323 -774.1460 2.316
481 11.1537 -774.1460 2.317
482 11.1750 -774.1460 2.318
483 11.1964 -774.1460 2.319
484 11.2178 -774.1460 2.320
485 11.2391 -774.1460 2.321
486 11.2605 -774.1460 2.322
487 11.2818 -774.1460 2.323
488 11.3032 -774.1460 2.324
489 11.3246 -774.1460 2.325
490 11.3459 -774.1460 2.326
491 11.3673 -774.1460 2.327
492 11.3887 -774.1460 2.328
493 11.4100 -774.1460 2.329
494 11.4314 -774.1460 2.330
495 11.4527 -774.1460 2.331
496 11.4741 -774.1460 2.332
497 11.4955 -774.1460 2.333
498 11.5168 -774.1460 2.334
499 11.5382 -774.1460 2.335
500 11.5595 -774.1460 2.336
501 11.5809 -774.1460 2.337
502 11.6023 -774.1460 2.338
503 11.6236 -774.1460 2.339
504 11.6450 -774.1460 2.339
505 11.6664 -774.1460 2.340
506 11.6877 -774.1460 2.341
507 11.7091 -774.1460 2.342
508 11.7304 -774.1460 2.343
509 11.7518 -774.1460 2.344
510 11.7732 -774.1460 2.344
511 11.7945 -774.1460 2.345
512 11.8159 -774.1460 2.346
513 11.8372 -774.1460 2.347
514 11.8586 -774.1460 2.348
515 11.8800 -774.1460 2.348
516 11.9013 -774.1460 2.349
517 11.9227 -774.1460 2.350
518 11.9441 -774.1460 2.351
519 11.9654 -774.1460 2.351
520 11.9868 -774.1460 2.352
521 12.0081 -774.1460 2.353
522 12.0295 -774.1460 2.354
523 12.0509 -774.1460 2.354
524 12.0722 -774.1460 2.355
525 12.0936 -774.1460 2.356
526 12.1150 -774.1459 2.356
527 12.1363 -774.1459 2.357
528 12.1577 -774.1459 2.358
529 12.1790 -774.1459 2.358
530 12.2004 -774.1459 2.359
531 12.2218 -774.1459 2.360
532 12.2431 -774.1459 2.360
533 12.2645 -774.1459 2.361
534 12.2858 -774.1459 2.362
535 12.3072 -774.1459 2.362
536 12.3286 -774.1459 2.363
537 12.3499 -774.1459 2.364
538 12.3713 -774.1459 2.364
539 12.3927 -774.1459 2.365
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