4-NO2PhN2+ TsO-

n d, A Eh E, kJ/mol
37 min 1.0802 -1440.3197 0.000
485 max 3.3230 -1440.0719 650.710
486 min 3.3280 -1440.1841 355.942
558 max 3.6885 -1440.1807 364.862
559 min 3.6935 -1440.1831 358.753
635 max 4.0740 -1440.1852 353.218

n d, A Eh E, kJ/mol
1 0.9000 -1440.2885 81.955
2 0.9050 -1440.2905 76.606
3 0.9100 -1440.2925 71.493
4 0.9150 -1440.2943 66.626
5 0.9200 -1440.2961 61.943
6 0.9250 -1440.2978 57.495
7 0.9300 -1440.2994 53.257
8 0.9350 -1440.3010 49.221
9 0.9401 -1440.3024 45.385
10 0.9451 -1440.3038 41.741
11 0.9501 -1440.3051 38.289
12 0.9551 -1440.3064 35.012
13 0.9601 -1440.3075 31.917
14 0.9651 -1440.3087 28.993
15 0.9701 -1440.3097 26.239
16 0.9751 -1440.3107 23.647
17 0.9801 -1440.3116 21.223
18 0.9851 -1440.3125 18.936
19 0.9901 -1440.3133 16.810
20 0.9951 -1440.3141 14.830
21 1.0001 -1440.3148 12.989
22 1.0051 -1440.3154 11.289
23 1.0101 -1440.3160 9.722
24 1.0151 -1440.3165 8.289
25 1.0202 -1440.3170 6.978
26 1.0252 -1440.3175 5.795
27 1.0302 -1440.3179 4.731
28 1.0352 -1440.3183 3.782
29 1.0402 -1440.3186 2.949
30 1.0452 -1440.3189 2.225
31 1.0502 -1440.3191 1.612
32 1.0552 -1440.3193 1.099
33 1.0602 -1440.3194 0.686
34 1.0652 -1440.3196 0.374
35 1.0702 -1440.3196 0.157
36 1.0752 -1440.3197 0.037
37 1.0802 -1440.3197 0.000
38 1.0852 -1440.3197 0.052
39 1.0902 -1440.3196 0.198
40 1.0952 -1440.3195 0.409
41 1.1003 -1440.3194 0.710
42 1.1053 -1440.3193 1.091
43 1.1103 -1440.3192 1.384
44 1.1153 -1440.3190 1.900
45 1.1203 -1440.3188 2.487
46 1.1253 -1440.3185 3.140
47 1.1303 -1440.3182 3.863
48 1.1353 -1440.3179 4.647
49 1.1403 -1440.3176 5.497
50 1.1453 -1440.3173 6.414
51 1.1503 -1440.3169 7.371
52 1.1553 -1440.3165 8.400
53 1.1603 -1440.3161 9.483
54 1.1653 -1440.3156 10.674
55 1.1703 -1440.3152 11.800
56 1.1753 -1440.3147 13.063
57 1.1804 -1440.3143 14.193
58 1.1854 -1440.3138 15.526
59 1.1904 -1440.3133 16.887
60 1.1954 -1440.3127 18.304
61 1.2004 -1440.3122 19.773
62 1.2054 -1440.3116 21.261
63 1.2104 -1440.3110 22.803
64 1.2154 -1440.3104 24.335
65 1.2204 -1440.3098 25.949
66 1.2254 -1440.3092 27.606
67 1.2304 -1440.3085 29.288
68 1.2354 -1440.3079 31.008
69 1.2404 -1440.3072 32.761
70 1.2454 -1440.3065 34.546
71 1.2504 -1440.3059 36.361
72 1.2554 -1440.3051 38.270
73 1.2605 -1440.3044 40.071
74 1.2655 -1440.3037 41.983
75 1.2705 -1440.3030 43.878
76 1.2755 -1440.3022 45.831
77 1.2805 -1440.3015 47.809
78 1.2855 -1440.3007 49.882
79 1.2905 -1440.3000 51.834
80 1.2955 -1440.2992 53.881
81 1.3005 -1440.2984 55.951
82 1.3055 -1440.2976 58.071
83 1.3105 -1440.2968 60.147
84 1.3155 -1440.2960 62.276
85 1.3205 -1440.2952 64.422
86 1.3255 -1440.2943 66.597
87 1.3305 -1440.2935 68.746
88 1.3355 -1440.2927 70.941
89 1.3406 -1440.2918 73.166
90 1.3456 -1440.2910 75.376
91 1.3506 -1440.2901 77.616
92 1.3556 -1440.2893 79.870
93 1.3606 -1440.2884 82.138
94 1.3656 -1440.2875 84.456
95 1.3706 -1440.2867 86.707
96 1.3756 -1440.2858 89.010
97 1.3806 -1440.2849 91.324
98 1.3856 -1440.2840 93.652
99 1.3906 -1440.2831 95.981
100 1.3956 -1440.2823 98.324
101 1.4006 -1440.2814 100.676
102 1.4056 -1440.2805 103.044
103 1.4106 -1440.2796 105.403
104 1.4156 -1440.2787 107.779
105 1.4207 -1440.2777 110.161
106 1.4257 -1440.2768 112.557
107 1.4307 -1440.2759 114.943
108 1.4357 -1440.2750 117.344
109 1.4407 -1440.2741 119.750
110 1.4457 -1440.2732 122.167
111 1.4507 -1440.2723 124.573
112 1.4557 -1440.2713 126.993
113 1.4607 -1440.2704 129.415
114 1.4657 -1440.2695 131.851
115 1.4707 -1440.2686 134.269
116 1.4757 -1440.2676 136.701
117 1.4807 -1440.2667 139.135
118 1.4857 -1440.2658 141.576
119 1.4907 -1440.2649 144.007
120 1.4957 -1440.2639 146.446
121 1.5008 -1440.2630 148.885
122 1.5058 -1440.2621 151.333
123 1.5108 -1440.2611 153.766
124 1.5158 -1440.2602 156.207
125 1.5208 -1440.2593 158.649
126 1.5258 -1440.2583 161.096
127 1.5308 -1440.2574 163.529
128 1.5358 -1440.2565 165.969
129 1.5408 -1440.2556 168.407
130 1.5458 -1440.2546 170.849
131 1.5508 -1440.2537 173.279
132 1.5558 -1440.2528 175.713
133 1.5608 -1440.2519 178.145
134 1.5658 -1440.2509 180.582
135 1.5708 -1440.2500 183.001
136 1.5758 -1440.2491 185.425
137 1.5809 -1440.2482 187.847
138 1.5859 -1440.2472 190.269
139 1.5909 -1440.2463 192.682
140 1.5959 -1440.2454 195.094
141 1.6009 -1440.2445 197.504
142 1.6059 -1440.2436 199.925
143 1.6109 -1440.2426 202.310
144 1.6159 -1440.2417 204.708
145 1.6209 -1440.2408 207.101
146 1.6259 -1440.2399 209.491
147 1.6309 -1440.2390 211.897
148 1.6359 -1440.2381 214.255
149 1.6409 -1440.2372 216.631
150 1.6459 -1440.2363 219.002
151 1.6509 -1440.2354 221.371
152 1.6559 -1440.2345 223.728
153 1.6610 -1440.2336 226.084
154 1.6660 -1440.2327 228.435
155 1.6710 -1440.2318 230.787
156 1.6760 -1440.2309 233.119
157 1.6810 -1440.2300 235.452
158 1.6860 -1440.2291 237.781
159 1.6910 -1440.2283 240.103
160 1.6960 -1440.2274 242.419
161 1.7010 -1440.2265 244.736
162 1.7060 -1440.2256 247.033
163 1.7110 -1440.2247 249.331
164 1.7160 -1440.2239 251.623
165 1.7210 -1440.2230 253.911
166 1.7260 -1440.2221 256.187
167 1.7310 -1440.2213 258.460
168 1.7360 -1440.2204 260.726
169 1.7411 -1440.2195 262.985
170 1.7461 -1440.2187 265.245
171 1.7511 -1440.2178 267.483
172 1.7561 -1440.2170 269.722
173 1.7611 -1440.2161 271.954
174 1.7661 -1440.2153 274.180
175 1.7711 -1440.2144 276.398
176 1.7761 -1440.2136 278.615
177 1.7811 -1440.2127 280.813
178 1.7861 -1440.2119 283.010
179 1.7911 -1440.2111 285.201
180 1.7961 -1440.2102 287.385
181 1.8011 -1440.2094 289.558
182 1.8061 -1440.2086 291.727
183 1.8111 -1440.2078 293.888
184 1.8161 -1440.2069 296.042
185 1.8212 -1440.2061 298.203
186 1.8262 -1440.2053 300.326
187 1.8312 -1440.2045 302.457
188 1.8362 -1440.2037 304.581
189 1.8412 -1440.2029 306.698
190 1.8462 -1440.2021 308.809
191 1.8512 -1440.2013 310.907
192 1.8562 -1440.2005 313.001
193 1.8612 -1440.1997 315.087
194 1.8662 -1440.1989 317.166
195 1.8712 -1440.1981 319.237
196 1.8762 -1440.1973 321.317
197 1.8812 -1440.1965 323.355
198 1.8862 -1440.1958 325.403
199 1.8912 -1440.1950 327.443
200 1.8962 -1440.1942 329.475
201 1.9013 -1440.1934 331.500
202 1.9063 -1440.1927 333.521
203 1.9113 -1440.1919 335.525
204 1.9163 -1440.1911 337.527
205 1.9213 -1440.1904 339.520
206 1.9263 -1440.1896 341.507
207 1.9313 -1440.1889 343.484
208 1.9363 -1440.1881 345.454
209 1.9413 -1440.1874 347.416
210 1.9463 -1440.1866 349.371
211 1.9513 -1440.1859 351.320
212 1.9563 -1440.1852 353.257
213 1.9613 -1440.1844 355.188
214 1.9663 -1440.1837 357.112
215 1.9713 -1440.1830 359.028
216 1.9763 -1440.1822 360.935
217 1.9814 -1440.1815 362.835
218 1.9864 -1440.1808 364.728
219 1.9914 -1440.1801 366.613
220 1.9964 -1440.1793 368.512
221 2.0014 -1440.1786 370.359
222 2.0064 -1440.1779 372.220
223 2.0114 -1440.1772 374.074
224 2.0164 -1440.1765 375.924
225 2.0214 -1440.1758 377.759
226 2.0264 -1440.1751 379.590
227 2.0314 -1440.1744 381.413
228 2.0364 -1440.1737 383.228
229 2.0414 -1440.1730 385.055
230 2.0464 -1440.1724 386.836
231 2.0514 -1440.1717 388.629
232 2.0564 -1440.1710 390.414
233 2.0615 -1440.1703 392.193
234 2.0665 -1440.1697 393.961
235 2.0715 -1440.1690 395.723
236 2.0765 -1440.1683 397.478
237 2.0815 -1440.1676 399.225
238 2.0865 -1440.1670 400.969
239 2.0915 -1440.1663 402.697
240 2.0965 -1440.1657 404.422
241 2.1015 -1440.1650 406.139
242 2.1065 -1440.1644 407.850
243 2.1115 -1440.1637 409.551
244 2.1165 -1440.1631 411.246
245 2.1215 -1440.1624 412.933
246 2.1265 -1440.1618 414.613
247 2.1315 -1440.1611 416.295
248 2.1365 -1440.1605 417.951
249 2.1416 -1440.1599 419.609
250 2.1466 -1440.1593 421.260
251 2.1516 -1440.1586 422.904
252 2.1566 -1440.1580 424.612
253 2.1616 -1440.1574 426.168
254 2.1666 -1440.1568 427.790
255 2.1716 -1440.1562 429.405
256 2.1766 -1440.1555 431.047
257 2.1816 -1440.1549 432.611
258 2.1866 -1440.1543 434.204
259 2.1916 -1440.1537 435.790
260 2.1966 -1440.1531 437.374
261 2.2016 -1440.1525 438.939
262 2.2066 -1440.1519 440.504
263 2.2116 -1440.1513 442.061
264 2.2166 -1440.1507 443.612
265 2.2217 -1440.1501 445.191
266 2.2267 -1440.1496 446.690
267 2.2317 -1440.1490 448.220
268 2.2367 -1440.1484 449.742
269 2.2417 -1440.1478 451.265
270 2.2467 -1440.1473 452.765
271 2.2517 -1440.1467 454.267
272 2.2567 -1440.1461 455.762
273 2.2617 -1440.1455 457.250
274 2.2667 -1440.1450 458.768
275 2.2717 -1440.1444 460.204
276 2.2767 -1440.1439 461.672
277 2.2817 -1440.1433 463.133
278 2.2867 -1440.1427 464.597
279 2.2917 -1440.1422 466.034
280 2.2967 -1440.1417 467.474
281 2.3018 -1440.1411 468.908
282 2.3068 -1440.1406 470.336
283 2.3118 -1440.1400 471.757
284 2.3168 -1440.1395 473.194
285 2.3218 -1440.1389 474.578
286 2.3268 -1440.1384 475.979
287 2.3318 -1440.1379 477.373
288 2.3368 -1440.1374 478.762
289 2.3418 -1440.1368 480.186
290 2.3468 -1440.1363 481.517
291 2.3518 -1440.1358 482.886
292 2.3568 -1440.1353 484.248
293 2.3618 -1440.1347 485.611
294 2.3668 -1440.1342 486.953
295 2.3718 -1440.1337 488.296
296 2.3768 -1440.1332 489.633
297 2.3819 -1440.1327 490.964
298 2.3869 -1440.1322 492.345
299 2.3919 -1440.1317 493.606
300 2.3969 -1440.1312 494.917
301 2.4019 -1440.1307 496.224
302 2.4069 -1440.1302 497.544
303 2.4119 -1440.1297 498.815
304 2.4169 -1440.1292 500.102
305 2.4219 -1440.1287 501.383
306 2.4269 -1440.1283 502.659
307 2.4319 -1440.1278 503.937
308 2.4369 -1440.1273 505.189
309 2.4419 -1440.1268 506.446
310 2.4469 -1440.1263 507.697
311 2.4519 -1440.1259 508.941
312 2.4569 -1440.1254 510.182
313 2.4620 -1440.1249 511.413
314 2.4670 -1440.1244 512.639
315 2.4720 -1440.1240 513.860
316 2.4770 -1440.1235 515.076
317 2.4820 -1440.1230 516.320
318 2.4870 -1440.1226 517.488
319 2.4920 -1440.1221 518.685
320 2.4970 -1440.1217 519.877
321 2.5020 -1440.1212 521.071
322 2.5070 -1440.1208 522.243
323 2.5120 -1440.1203 523.418
324 2.5170 -1440.1199 524.586
325 2.5220 -1440.1195 525.749
326 2.5270 -1440.1190 526.913
327 2.5320 -1440.1186 528.058
328 2.5370 -1440.1181 529.204
329 2.5421 -1440.1177 530.345
330 2.5471 -1440.1173 531.480
331 2.5521 -1440.1168 532.669
332 2.5571 -1440.1164 533.731
333 2.5621 -1440.1160 534.849
334 2.5671 -1440.1156 535.962
335 2.5721 -1440.1151 537.086
336 2.5771 -1440.1147 538.168
337 2.5821 -1440.1143 539.264
338 2.5871 -1440.1139 540.354
339 2.5921 -1440.1135 541.440
340 2.5971 -1440.1131 542.557
341 2.6021 -1440.1127 543.592
342 2.6071 -1440.1123 544.661
343 2.6121 -1440.1118 545.725
344 2.6171 -1440.1114 546.788
345 2.6222 -1440.1110 547.836
346 2.6272 -1440.1106 548.884
347 2.6322 -1440.1102 549.927
348 2.6372 -1440.1099 550.966
349 2.6422 -1440.1095 551.997
350 2.6472 -1440.1091 553.024
351 2.6522 -1440.1087 554.047
352 2.6572 -1440.1083 555.064
353 2.6622 -1440.1079 556.076
354 2.6672 -1440.1075 557.091
355 2.6722 -1440.1071 558.085
356 2.6772 -1440.1068 559.082
357 2.6822 -1440.1064 560.074
358 2.6872 -1440.1060 561.062
359 2.6922 -1440.1056 562.089
360 2.6972 -1440.1053 563.021
361 2.7023 -1440.1049 563.994
362 2.7073 -1440.1045 564.962
363 2.7123 -1440.1042 565.924
364 2.7173 -1440.1038 566.881
365 2.7223 -1440.1034 567.834
366 2.7273 -1440.1031 568.788
367 2.7323 -1440.1027 569.727
368 2.7373 -1440.1023 570.666
369 2.7423 -1440.1020 571.599
370 2.7473 -1440.1016 572.534
371 2.7523 -1440.1013 573.454
372 2.7573 -1440.1009 574.375
373 2.7623 -1440.1006 575.289
374 2.7673 -1440.1002 576.199
375 2.7723 -1440.0999 577.105
376 2.7773 -1440.0996 578.006
377 2.7824 -1440.0992 578.902
378 2.7874 -1440.0989 579.793
379 2.7924 -1440.0985 580.679
380 2.7974 -1440.0982 581.562
381 2.8024 -1440.0979 582.440
382 2.8074 -1440.0976 583.239
383 2.8124 -1440.0972 584.107
384 2.8174 -1440.0969 584.965
385 2.8224 -1440.0966 585.820
386 2.8274 -1440.0963 586.671
387 2.8324 -1440.0959 587.521
388 2.8374 -1440.0956 588.363
389 2.8424 -1440.0953 589.200
390 2.8474 -1440.0950 590.034
391 2.8524 -1440.0947 590.863
392 2.8574 -1440.0943 591.688
393 2.8625 -1440.0940 592.508
394 2.8675 -1440.0937 593.324
395 2.8725 -1440.0934 594.136
396 2.8775 -1440.0931 594.942
397 2.8825 -1440.0928 595.744
398 2.8875 -1440.0925 596.542
399 2.8925 -1440.0922 597.336
400 2.8975 -1440.0919 598.125
401 2.9025 -1440.0916 598.909
402 2.9075 -1440.0913 599.661
403 2.9125 -1440.0910 600.432
404 2.9175 -1440.0907 601.201
405 2.9225 -1440.0904 601.966
406 2.9275 -1440.0901 602.727
407 2.9325 -1440.0898 603.484
408 2.9375 -1440.0896 604.235
409 2.9426 -1440.0893 605.002
410 2.9476 -1440.0890 605.728
411 2.9526 -1440.0887 606.468
412 2.9576 -1440.0884 607.210
413 2.9626 -1440.0882 607.938
414 2.9676 -1440.0879 608.652
415 2.9726 -1440.0876 609.374
416 2.9776 -1440.0873 610.093
417 2.9826 -1440.0871 610.809
418 2.9876 -1440.0868 611.522
419 2.9926 -1440.0865 612.230
420 2.9976 -1440.0862 612.936
421 3.0026 -1440.0860 613.637
422 3.0076 -1440.0857 614.334
423 3.0126 -1440.0855 615.028
424 3.0176 -1440.0852 615.720
425 3.0227 -1440.0849 616.404
426 3.0277 -1440.0847 617.078
427 3.0327 -1440.0844 617.754
428 3.0377 -1440.0841 618.466
429 3.0427 -1440.0839 619.097
430 3.0477 -1440.0836 619.764
431 3.0527 -1440.0834 620.427
432 3.0577 -1440.0831 621.087
433 3.0627 -1440.0829 621.742
434 3.0677 -1440.0826 622.393
435 3.0727 -1440.0824 623.041
436 3.0777 -1440.0822 623.685
437 3.0827 -1440.0819 624.325
438 3.0877 -1440.0817 624.969
439 3.0927 -1440.0814 625.596
440 3.0977 -1440.0812 626.224
441 3.1028 -1440.0809 626.853
442 3.1078 -1440.0807 627.473
443 3.1128 -1440.0805 628.083
444 3.1178 -1440.0802 628.696
445 3.1228 -1440.0800 629.306
446 3.1278 -1440.0798 629.913
447 3.1328 -1440.0796 630.519
448 3.1378 -1440.0793 631.117
449 3.1428 -1440.0791 631.714
450 3.1478 -1440.0789 632.312
451 3.1528 -1440.0786 632.896
452 3.1578 -1440.0784 633.481
453 3.1628 -1440.0782 634.066
454 3.1678 -1440.0780 634.643
455 3.1728 -1440.0778 635.210
456 3.1778 -1440.0775 635.780
457 3.1829 -1440.0773 636.347
458 3.1879 -1440.0771 636.910
459 3.1929 -1440.0769 637.471
460 3.1979 -1440.0767 638.008
461 3.2029 -1440.0765 638.553
462 3.2079 -1440.0763 639.102
463 3.2129 -1440.0761 639.646
464 3.2179 -1440.0759 640.188
465 3.2229 -1440.0757 640.727
466 3.2279 -1440.0755 641.260
467 3.2329 -1440.0753 641.792
468 3.2379 -1440.0751 642.321
469 3.2429 -1440.0749 642.843
470 3.2479 -1440.0747 643.362
471 3.2529 -1440.0745 643.882
472 3.2579 -1440.0743 644.392
473 3.2630 -1440.0741 644.896
474 3.2680 -1440.0739 645.396
475 3.2730 -1440.0737 645.899
476 3.2780 -1440.0735 646.397
477 3.2830 -1440.0733 646.893
478 3.2880 -1440.0731 647.385
479 3.2930 -1440.0729 647.872
480 3.2980 -1440.0728 648.351
481 3.3030 -1440.0726 648.829
482 3.3080 -1440.0724 649.317
483 3.3130 -1440.0722 649.777
484 3.3180 -1440.0720 650.246
485 3.3230 -1440.0719 650.710
486 3.3280 -1440.1841 355.942
487 3.3330 -1440.1841 356.091
488 3.3380 -1440.1840 356.309
489 3.3431 -1440.1840 356.381
490 3.3481 -1440.1839 356.528
491 3.3531 -1440.1839 356.671
492 3.3581 -1440.1838 356.827
493 3.3631 -1440.1837 356.958
494 3.3681 -1440.1837 357.101
495 3.3731 -1440.1836 357.245
496 3.3781 -1440.1836 357.394
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