4-NO2PhN2+

n d, A Eh E, kJ/mol
38 min 1.0852 -545.3186 0.000

n d, A Eh E, kJ/mol
1 0.9000 -545.2860 85.441
2 0.9050 -545.2881 79.986
3 0.9100 -545.2901 74.777
4 0.9150 -545.2920 69.775
5 0.9200 -545.2938 65.006
6 0.9250 -545.2956 60.453
7 0.9300 -545.2972 56.110
8 0.9350 -545.2988 51.991
9 0.9401 -545.3003 48.032
10 0.9451 -545.3017 44.286
11 0.9501 -545.3031 40.729
12 0.9551 -545.3044 37.356
13 0.9601 -545.3056 34.158
14 0.9651 -545.3067 31.136
15 0.9701 -545.3078 28.282
16 0.9751 -545.3088 25.592
17 0.9801 -545.3098 23.069
18 0.9851 -545.3107 20.687
19 0.9901 -545.3116 18.463
20 0.9951 -545.3123 16.386
21 1.0001 -545.3131 14.452
22 1.0051 -545.3138 12.675
23 1.0101 -545.3144 10.997
24 1.0151 -545.3150 9.469
25 1.0202 -545.3155 8.068
26 1.0252 -545.3160 6.792
27 1.0302 -545.3164 5.668
28 1.0352 -545.3168 4.598
29 1.0402 -545.3172 3.674
30 1.0452 -545.3175 2.862
31 1.0502 -545.3178 2.167
32 1.0552 -545.3180 1.557
33 1.0602 -545.3182 1.059
34 1.0652 -545.3183 0.660
35 1.0702 -545.3185 0.358
36 1.0752 -545.3185 0.181
37 1.0802 -545.3186 0.030
38 1.0852 -545.3186 0.000
39 1.0902 -545.3186 0.056
40 1.0952 -545.3185 0.210
41 1.1003 -545.3184 0.415
42 1.1053 -545.3183 0.714
43 1.1103 -545.3182 1.089
44 1.1153 -545.3180 1.539
45 1.1203 -545.3178 2.080
46 1.1253 -545.3176 2.651
47 1.1303 -545.3173 3.310
48 1.1353 -545.3171 4.035
49 1.1403 -545.3168 4.825
50 1.1453 -545.3164 5.745
51 1.1503 -545.3161 6.587
52 1.1553 -545.3157 7.557
53 1.1603 -545.3153 8.585
54 1.1653 -545.3149 9.715
55 1.1703 -545.3145 10.801
56 1.1753 -545.3140 11.989
57 1.1804 -545.3136 13.226
58 1.1854 -545.3131 14.533
59 1.1904 -545.3126 15.846
60 1.1954 -545.3120 17.225
61 1.2004 -545.3115 18.649
62 1.2054 -545.3109 20.124
63 1.2104 -545.3104 21.624
64 1.2154 -545.3098 23.173
65 1.2204 -545.3092 24.761
66 1.2254 -545.3085 26.387
67 1.2304 -545.3079 28.066
68 1.2354 -545.3073 29.747
69 1.2404 -545.3066 31.479
70 1.2454 -545.3059 33.244
71 1.2504 -545.3052 35.041
72 1.2554 -545.3045 36.871
73 1.2605 -545.3038 38.727
74 1.2655 -545.3031 40.614
75 1.2705 -545.3024 42.529
76 1.2755 -545.3017 44.470
77 1.2805 -545.3009 46.439
78 1.2855 -545.3001 48.459
79 1.2905 -545.2994 50.448
80 1.2955 -545.2986 52.489
81 1.3005 -545.2978 54.552
82 1.3055 -545.2970 56.658
83 1.3105 -545.2962 58.742
84 1.3155 -545.2954 60.868
85 1.3205 -545.2946 63.014
86 1.3255 -545.2938 65.178
87 1.3305 -545.2929 67.385
88 1.3355 -545.2921 69.558
89 1.3406 -545.2913 71.773
90 1.3456 -545.2904 74.005
91 1.3506 -545.2895 76.275
92 1.3556 -545.2887 78.512
93 1.3606 -545.2878 80.787
94 1.3656 -545.2869 83.076
95 1.3706 -545.2861 85.386
96 1.3756 -545.2852 87.690
97 1.3806 -545.2843 90.015
98 1.3856 -545.2834 92.351
99 1.3906 -545.2825 94.699
100 1.3956 -545.2816 97.099
101 1.4006 -545.2807 99.421
102 1.4056 -545.2798 101.796
103 1.4106 -545.2789 104.180
104 1.4156 -545.2780 106.594
105 1.4207 -545.2771 108.970
106 1.4257 -545.2762 111.377
107 1.4307 -545.2752 113.791
108 1.4357 -545.2743 116.240
109 1.4407 -545.2734 118.634
110 1.4457 -545.2725 121.065
111 1.4507 -545.2716 123.501
112 1.4557 -545.2706 125.970
113 1.4607 -545.2697 128.385
114 1.4657 -545.2688 130.834
115 1.4707 -545.2678 133.286
116 1.4757 -545.2669 135.760
117 1.4807 -545.2660 138.199
118 1.4857 -545.2650 140.659
119 1.4907 -545.2641 143.122
120 1.4957 -545.2631 145.587
121 1.5008 -545.2622 148.058
122 1.5058 -545.2613 150.520
123 1.5108 -545.2603 152.988
124 1.5158 -545.2594 155.458
125 1.5208 -545.2584 157.929
126 1.5258 -545.2575 160.397
127 1.5308 -545.2566 162.866
128 1.5358 -545.2556 165.336
129 1.5408 -545.2547 167.805
130 1.5458 -545.2537 170.274
131 1.5508 -545.2528 172.739
132 1.5558 -545.2519 175.205
133 1.5608 -545.2509 177.669
134 1.5658 -545.2500 180.134
135 1.5708 -545.2490 182.591
136 1.5758 -545.2481 185.050
137 1.5809 -545.2472 187.506
138 1.5859 -545.2462 189.959
139 1.5909 -545.2453 192.431
140 1.5959 -545.2444 194.857
141 1.6009 -545.2434 197.302
142 1.6059 -545.2425 199.743
143 1.6109 -545.2416 202.197
144 1.6159 -545.2407 204.615
145 1.6209 -545.2397 207.046
146 1.6259 -545.2388 209.473
147 1.6309 -545.2379 211.895
148 1.6359 -545.2370 214.318
149 1.6409 -545.2360 216.727
150 1.6459 -545.2351 219.136
151 1.6509 -545.2342 221.541
152 1.6559 -545.2333 223.942
153 1.6610 -545.2324 226.395
154 1.6660 -545.2315 228.726
155 1.6710 -545.2306 231.111
156 1.6760 -545.2297 233.491
157 1.6810 -545.2287 235.910
158 1.6860 -545.2279 238.233
159 1.6910 -545.2270 240.595
160 1.6960 -545.2261 242.953
161 1.7010 -545.2251 245.327
162 1.7060 -545.2243 247.649
163 1.7110 -545.2234 249.989
164 1.7160 -545.2225 252.322
165 1.7210 -545.2216 254.678
166 1.7260 -545.2207 256.970
167 1.7310 -545.2198 259.285
168 1.7360 -545.2190 261.594
169 1.7411 -545.2181 263.929
170 1.7461 -545.2172 266.190
171 1.7511 -545.2163 268.478
172 1.7561 -545.2155 270.760
173 1.7611 -545.2146 273.051
174 1.7661 -545.2137 275.303
175 1.7711 -545.2129 277.565
176 1.7761 -545.2120 279.819
177 1.7811 -545.2112 282.066
178 1.7861 -545.2103 284.315
179 1.7911 -545.2095 286.540
180 1.7961 -545.2086 288.766
181 1.8011 -545.2078 290.985
182 1.8061 -545.2069 293.198
183 1.8111 -545.2061 295.430
184 1.8161 -545.2052 297.599
185 1.8212 -545.2044 299.789
186 1.8262 -545.2036 301.972
187 1.8312 -545.2027 304.186
188 1.8362 -545.2019 306.314
189 1.8412 -545.2011 308.474
190 1.8462 -545.2003 310.627
191 1.8512 -545.1995 312.792
192 1.8562 -545.1986 314.910
193 1.8612 -545.1978 317.040
194 1.8662 -545.1970 319.162
195 1.8712 -545.1962 321.277
196 1.8762 -545.1954 323.424
197 1.8812 -545.1946 325.483
198 1.8862 -545.1938 327.575
199 1.8912 -545.1930 329.659
200 1.8962 -545.1922 331.755
201 1.9013 -545.1915 333.803
202 1.9063 -545.1907 335.863
203 1.9113 -545.1899 337.916
204 1.9163 -545.1891 339.962
205 1.9213 -545.1883 342.064
206 1.9263 -545.1876 344.027
207 1.9313 -545.1868 346.049
208 1.9363 -545.1860 348.062
209 1.9413 -545.1852 350.084
210 1.9463 -545.1845 352.066
211 1.9513 -545.1837 354.056
212 1.9563 -545.1830 356.038
213 1.9613 -545.1822 358.012
214 1.9663 -545.1815 360.011
215 1.9713 -545.1807 361.937
216 1.9763 -545.1800 363.888
217 1.9814 -545.1793 365.831
218 1.9864 -545.1785 367.786
219 1.9914 -545.1778 369.692
220 1.9964 -545.1770 371.611
221 2.0014 -545.1763 373.523
222 2.0064 -545.1756 375.441
223 2.0114 -545.1749 377.322
224 2.0164 -545.1742 379.209
225 2.0214 -545.1734 381.089
226 2.0264 -545.1727 382.962
227 2.0314 -545.1720 384.868
228 2.0364 -545.1713 386.682
229 2.0414 -545.1706 388.531
230 2.0464 -545.1699 390.372
231 2.0514 -545.1692 392.234
232 2.0564 -545.1685 394.030
233 2.0615 -545.1678 395.848
234 2.0665 -545.1671 397.658
235 2.0715 -545.1664 399.468
236 2.0765 -545.1658 401.254
237 2.0815 -545.1651 403.041
238 2.0865 -545.1644 404.820
239 2.0915 -545.1637 406.591
240 2.0965 -545.1630 408.385
241 2.1015 -545.1624 410.110
242 2.1065 -545.1617 411.858
243 2.1115 -545.1611 413.599
244 2.1165 -545.1604 415.353
245 2.1215 -545.1597 417.057
246 2.1265 -545.1591 418.775
247 2.1315 -545.1584 420.485
248 2.1365 -545.1578 422.218
249 2.1416 -545.1571 423.882
250 2.1466 -545.1565 425.569
251 2.1516 -545.1559 427.250
252 2.1566 -545.1552 428.945
253 2.1616 -545.1546 430.586
254 2.1666 -545.1540 432.244
255 2.1716 -545.1533 433.896
256 2.1766 -545.1527 435.536
257 2.1816 -545.1521 437.171
258 2.1866 -545.1515 438.798
259 2.1916 -545.1508 440.423
260 2.1966 -545.1502 442.031
261 2.2016 -545.1496 443.637
262 2.2066 -545.1490 445.235
263 2.2116 -545.1484 446.826
264 2.2166 -545.1478 448.435
265 2.2217 -545.1472 449.985
266 2.2267 -545.1466 451.554
267 2.2317 -545.1460 453.115
268 2.2367 -545.1454 454.685
269 2.2417 -545.1448 456.217
270 2.2467 -545.1442 457.757
271 2.2517 -545.1437 459.290
272 2.2567 -545.1431 460.823
273 2.2617 -545.1425 462.334
274 2.2667 -545.1419 463.845
275 2.2717 -545.1413 465.349
276 2.2767 -545.1408 466.847
277 2.2817 -545.1402 468.367
278 2.2867 -545.1396 469.820
279 2.2917 -545.1391 471.296
280 2.2967 -545.1385 472.766
281 2.3018 -545.1380 474.232
282 2.3068 -545.1374 475.684
283 2.3118 -545.1369 477.132
284 2.3168 -545.1363 478.574
285 2.3218 -545.1358 480.009
286 2.3268 -545.1352 481.443
287 2.3318 -545.1347 482.858
288 2.3368 -545.1341 484.272
289 2.3418 -545.1336 485.680
290 2.3468 -545.1331 487.081
291 2.3518 -545.1325 488.490
292 2.3568 -545.1320 489.862
293 2.3618 -545.1315 491.243
294 2.3668 -545.1310 492.618
295 2.3718 -545.1304 494.027
296 2.3768 -545.1299 495.345
297 2.3819 -545.1294 496.700
298 2.3869 -545.1289 498.048
299 2.3919 -545.1284 499.424
300 2.3969 -545.1279 500.723
301 2.4019 -545.1274 502.051
302 2.4069 -545.1269 503.373
303 2.4119 -545.1264 504.689
304 2.4169 -545.1258 506.059
305 2.4219 -545.1254 507.299
306 2.4269 -545.1249 508.595
307 2.4319 -545.1244 509.886
308 2.4369 -545.1239 511.223
309 2.4419 -545.1234 512.445
310 2.4469 -545.1229 513.716
311 2.4519 -545.1224 514.981
312 2.4569 -545.1220 516.238
313 2.4620 -545.1215 517.490
314 2.4670 -545.1210 518.736
315 2.4720 -545.1205 519.976
316 2.4770 -545.1201 521.224
317 2.4820 -545.1196 522.436
318 2.4870 -545.1191 523.658
319 2.4920 -545.1187 524.873
320 2.4970 -545.1182 526.093
321 2.5020 -545.1178 527.285
322 2.5070 -545.1173 528.482
323 2.5120 -545.1168 529.673
324 2.5170 -545.1164 530.865
325 2.5220 -545.1159 532.037
326 2.5270 -545.1155 533.210
327 2.5320 -545.1151 534.377
328 2.5370 -545.1146 535.540
329 2.5421 -545.1142 536.755
330 2.5471 -545.1137 537.844
331 2.5521 -545.1133 538.988
332 2.5571 -545.1129 540.126
333 2.5621 -545.1124 541.268
334 2.5671 -545.1120 542.385
335 2.5721 -545.1116 543.506
336 2.5771 -545.1112 544.622
337 2.5821 -545.1107 545.734
338 2.5871 -545.1103 546.835
339 2.5921 -545.1099 547.934
340 2.5971 -545.1095 549.027
341 2.6021 -545.1091 550.114
342 2.6071 -545.1086 551.200
343 2.6121 -545.1082 552.272
344 2.6171 -545.1078 553.343
345 2.6222 -545.1074 554.408
346 2.6272 -545.1070 555.468
347 2.6322 -545.1066 556.533
348 2.6372 -545.1062 557.571
349 2.6422 -545.1058 558.615
350 2.6472 -545.1054 559.653
351 2.6522 -545.1050 560.690
352 2.6572 -545.1046 561.714
353 2.6622 -545.1043 562.736
354 2.6672 -545.1039 563.753
355 2.6722 -545.1035 564.765
356 2.6772 -545.1031 565.782
357 2.6822 -545.1027 566.773
358 2.6872 -545.1023 567.769
359 2.6922 -545.1020 568.762
360 2.6972 -545.1016 569.761
361 2.7023 -545.1012 570.727
362 2.7073 -545.1008 571.703
363 2.7123 -545.1005 572.673
364 2.7173 -545.1001 573.639
365 2.7223 -545.0997 574.640
366 2.7273 -545.0994 575.555
367 2.7323 -545.0990 576.505
368 2.7373 -545.0987 577.450
369 2.7423 -545.0983 578.391
370 2.7473 -545.0979 579.328
371 2.7523 -545.0976 580.257
372 2.7573 -545.0972 581.188
373 2.7623 -545.0969 582.104
374 2.7673 -545.0965 583.020
375 2.7723 -545.0962 583.931
376 2.7773 -545.0958 584.838
377 2.7824 -545.0955 585.739
378 2.7874 -545.0952 586.637
379 2.7924 -545.0948 587.528
380 2.7974 -545.0945 588.416
381 2.8024 -545.0941 589.299
382 2.8074 -545.0938 590.177
383 2.8124 -545.0935 591.050
384 2.8174 -545.0931 591.919
385 2.8224 -545.0928 592.783
386 2.8274 -545.0925 593.642
387 2.8324 -545.0922 594.497
388 2.8374 -545.0918 595.348
389 2.8424 -545.0915 596.193
390 2.8474 -545.0912 597.034
391 2.8524 -545.0909 597.871
392 2.8574 -545.0906 598.703
393 2.8625 -545.0902 599.531
394 2.8675 -545.0899 600.355
395 2.8725 -545.0896 601.173
396 2.8775 -545.0893 601.994
397 2.8825 -545.0890 602.798
398 2.8875 -545.0887 603.604
399 2.8925 -545.0884 604.427
400 2.8975 -545.0881 605.203
401 2.9025 -545.0878 606.003
402 2.9075 -545.0875 606.784
403 2.9125 -545.0872 607.568
404 2.9175 -545.0869 608.354
405 2.9225 -545.0866 609.124
406 2.9275 -545.0863 609.895
407 2.9325 -545.0860 610.662
408 2.9375 -545.0857 611.426
409 2.9426 -545.0854 612.187
410 2.9476 -545.0851 612.940
411 2.9526 -545.0848 613.690
412 2.9576 -545.0846 614.437
413 2.9626 -545.0843 615.180
414 2.9676 -545.0840 615.918
415 2.9726 -545.0837 616.660
416 2.9776 -545.0834 617.383
417 2.9826 -545.0832 618.113
418 2.9876 -545.0829 618.831
419 2.9926 -545.0826 619.549
420 2.9976 -545.0823 620.264
421 3.0026 -545.0821 620.974
422 3.0076 -545.0818 621.683
423 3.0126 -545.0815 622.384
424 3.0176 -545.0813 623.082
425 3.0227 -545.0810 623.779
426 3.0277 -545.0807 624.469
427 3.0327 -545.0805 625.155
428 3.0377 -545.0802 625.845
429 3.0427 -545.0800 626.518
430 3.0477 -545.0797 627.194
431 3.0527 -545.0794 627.871
432 3.0577 -545.0792 628.534
433 3.0627 -545.0789 629.198
434 3.0677 -545.0787 629.859
435 3.0727 -545.0784 630.536
436 3.0777 -545.0782 631.169
437 3.0827 -545.0779 631.819
438 3.0877 -545.0777 632.465
439 3.0927 -545.0775 633.109
440 3.0977 -545.0772 633.746
441 3.1028 -545.0770 634.381
442 3.1078 -545.0767 635.013
443 3.1128 -545.0765 635.643
444 3.1178 -545.0762 636.268
445 3.1228 -545.0760 636.886
446 3.1278 -545.0758 637.503
447 3.1328 -545.0755 638.116
448 3.1378 -545.0753 638.726
449 3.1428 -545.0751 639.361
450 3.1478 -545.0748 639.939
451 3.1528 -545.0746 640.536
452 3.1578 -545.0744 641.132
453 3.1628 -545.0742 641.726
454 3.1678 -545.0739 642.315
455 3.1728 -545.0737 642.905
456 3.1778 -545.0735 643.483
457 3.1829 -545.0733 644.063
458 3.1879 -545.0731 644.638
459 3.1929 -545.0728 645.211
460 3.1979 -545.0726 645.780
461 3.2029 -545.0724 646.353
462 3.2079 -545.0722 646.909
463 3.2129 -545.0720 647.470
464 3.2179 -545.0718 648.024
465 3.2229 -545.0716 648.578
466 3.2279 -545.0713 649.130
467 3.2329 -545.0711 649.674
468 3.2379 -545.0709 650.216
469 3.2429 -545.0707 650.756
470 3.2479 -545.0705 651.297
471 3.2529 -545.0703 651.827
472 3.2579 -545.0701 652.357
473 3.2630 -545.0699 652.885
474 3.2680 -545.0697 653.408
475 3.2730 -545.0695 653.930
476 3.2780 -545.0693 654.447
477 3.2830 -545.0691 654.962
478 3.2880 -545.0689 655.475
479 3.2930 -545.0687 655.993
480 3.2980 -545.0685 656.488
481 3.3030 -545.0684 656.991
482 3.3080 -545.0682 657.490
483 3.3130 -545.0680 657.989
484 3.3180 -545.0678 658.481
485 3.3230 -545.0676 658.972
486 3.3280 -545.0674 659.461
487 3.3330 -545.0672 659.944
488 3.3380 -545.0670 660.426
489 3.3431 -545.0669 660.906
490 3.3481 -545.0667 661.381
491 3.3531 -545.0665 661.854
492 3.3581 -545.0663 662.324
493 3.3631 -545.0661 662.794
494 3.3681 -545.0660 663.256
495 3.3731 -545.0658 663.721
496 3.3781 -545.0656 664.177
497 3.3831 -545.0654 664.637
498 3.3881 -545.0653 665.087
499 3.3931 -545.0651 665.537
500 3.3981 -545.0649 665.985
501 3.4031 -545.0648 666.431
502 3.4081 -545.0646 666.872
503 3.4131 -545.0644 667.314
504 3.4181 -545.0643 667.750
505 3.4232 -545.0641 668.202
506 3.4282 -545.0639 668.615
507 3.4332 -545.0638 669.043
508 3.4382 -545.0636 669.470
509 3.4432 -545.0634 669.893
510 3.4482 -545.0633 670.314
511 3.4532 -545.0631 670.732
512 3.4582 -545.0630 671.150
513 3.4632 -545.0628 671.562
514 3.4682 -545.0626 671.972
515 3.4732 -545.0625 672.387
516 3.4782 -545.0623 672.786
517 3.4832 -545.0622 673.188
518 3.4882 -545.0620 673.588
519 3.4932 -545.0619 673.987
520 3.4982 -545.0617 674.382
521 3.5033 -545.0616 674.774
522 3.5083 -545.0614 675.165
523 3.5133 -545.0613 675.554
524 3.5183 -545.0611 675.938
525 3.5233 -545.0610 676.343
526 3.5283 -545.0608 676.702
527 3.5333 -545.0607 677.080
528 3.5383 -545.0606 677.471
529 3.5433 -545.0604 677.830
530 3.5483 -545.0603 678.199
531 3.5533 -545.0601 678.567
532 3.5583 -545.0600 678.934
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