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Di-tert-Butyl azodicarboxylate |
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ID: API-42666 CAS:870-50-8 Supplier:APIchem SMILES:O(C(C)(C)C)C(=O)/N=N/C(=O)OC(C)(C)C ChemMol.com FORMULA: C10H18N2O4
MASS: 230.2609
EXACT MASS: 230.1266571
INTERATOMIC DISTANCES
O 1 O 2 O 3 O 4 N 5 N 6
------------------------------------------------------------------
O 1 0.0000
O 2 4.3590 0.0000
O 3 1.7321 3.6055 0.0000
O 4 3.6056 1.7320 3.6056 0.0000
N 5 1.7321 2.6458 1.7320 2.0000 0.0000
N 6 2.6458 1.7321 2.0000 1.7321 1.0000 0.0000
C 7 1.0000 5.1962 2.0000 4.5826 2.6458 3.4641
C 8 5.1962 1.0000 4.5826 2.0000 3.4641 2.6458
C 9 6.0828 2.0000 5.5677 2.6457 4.3589 3.6055
C 10 5.7617 1.4142 4.8715 2.9093 4.0576 3.1196
C 11 4.7754 1.4142 4.5020 1.2393 3.0880 2.5036
C 12 2.0000 6.0828 2.6458 5.5678 3.6055 4.3589
C 13 1.4142 5.7617 2.9093 4.8716 3.1196 4.0576
C 14 1.4142 4.7754 1.2394 4.5020 2.5036 3.0880
C 15 3.4642 1.0000 3.0000 1.0000 1.7321 1.0001
C 16 1.0001 3.4641 1.0000 3.0000 1.0000 1.7320
H 17 6.3723 2.0939 5.6972 3.0873 4.6402 3.8024
H 18 6.6487 2.6200 6.1810 3.1408 4.9340 4.2101
H 19 5.8449 2.0938 5.5054 2.2883 4.1517 3.5086
H 20 5.2916 1.0698 4.3054 2.7583 3.6234 2.6489
H 21 6.1679 1.9038 5.1410 3.4980 4.4985 3.5257
H 22 6.2578 1.9037 5.4494 3.1762 4.5352 3.6354
H 23 5.3636 1.9037 5.1217 1.7776 3.6932 3.1229
H 24 4.6051 1.9038 4.5627 1.0062 3.0021 2.6113
H 25 4.1963 1.0697 3.8823 0.8248 2.4901 1.8848
H 26 2.0939 6.3723 3.0874 5.6973 3.8024 4.6402
H 27 2.6199 6.6486 3.1408 6.1810 4.2100 4.9339
H 28 2.0938 5.8449 2.2884 5.5055 3.5086 4.1517
H 29 1.0697 5.2915 2.7583 4.3054 2.6488 3.6233
H 30 1.9038 6.1679 3.4981 5.1411 3.5257 4.4985
H 31 1.9037 6.2578 3.1762 5.4495 3.6354 4.5352
H 32 1.9037 5.3636 1.7777 5.1218 3.1229 3.6932
H 33 1.9038 4.6051 1.0063 4.5628 2.6113 3.0021
H 34 1.0698 4.1962 0.8248 3.8823 1.8847 2.4900
C 7 C 8 C 9 C 10 C 11 C 12
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C 7 0.0000
C 8 6.0828 0.0000
C 9 7.0000 1.0000 0.0000
C 10 6.5724 1.0000 1.4142 0.0000
C 11 5.7275 1.0000 1.4142 2.0000 0.0000
C 12 1.0000 7.0000 7.9372 7.4294 6.6936 0.0000
C 13 1.0000 6.5724 7.4294 7.1689 6.0828 1.4142
C 14 1.0000 5.7275 6.6936 6.0828 5.5324 1.4142
C 15 4.3590 1.7320 2.6457 2.3941 1.5059 5.2915
C 16 1.7321 4.3589 5.2915 4.8439 4.0664 2.6458
H 17 7.2530 1.1766 0.6200 1.0698 1.9037 8.1612
H 18 7.5793 1.6200 0.6201 1.9038 1.9038 8.5255
H 19 6.7943 1.1766 0.6200 1.9037 1.0697 7.7564
H 20 6.0631 1.1766 1.9037 0.6200 2.0939 6.8935
H 21 6.9313 1.6200 1.9038 0.6201 2.6200 7.7487
H 22 7.0993 1.1766 1.0697 0.6200 2.0938 7.9775
H 23 6.3252 1.1766 1.0698 2.0939 0.6200 7.2971
H 24 5.5863 1.6200 1.9038 2.6200 0.6201 6.5732
H 25 5.1351 1.1766 1.9037 2.0938 0.6200 6.0933
H 26 1.1766 7.2530 8.1612 7.7487 6.8680 0.6200
H 27 1.6199 7.5792 8.5255 7.9775 7.2971 0.6200
H 28 1.1766 6.7943 7.7564 7.1497 6.5731 0.6200
H 29 1.1766 6.0630 6.8934 6.7049 5.5285 1.9038
H 30 1.6200 6.9313 7.7487 7.5815 6.3723 1.9038
H 31 1.1766 7.0993 7.9775 7.6548 6.6486 1.0697
H 32 1.1766 6.3252 7.2971 6.6486 6.1491 1.0698
H 33 1.6200 5.5863 6.5732 5.8449 5.5001 1.9038
H 34 1.1766 5.1350 6.0932 5.5285 4.9165 1.9038
C 13 C 14 C 15 C 16 H 17 H 18
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C 13 0.0000
C 14 2.0000 0.0000
C 15 4.8440 4.0665 0.0000
C 16 2.3942 1.5060 2.6458 0.0000
H 17 7.7487 6.8680 2.9082 5.5255 0.0000
H 18 7.9776 7.2972 3.2380 5.8809 0.8768 0.0000
H 19 7.1497 6.5731 2.5120 5.1221 1.2399 0.8769
H 20 6.7050 5.5286 2.0631 4.3461 1.6639 2.4531
H 21 7.5815 6.3723 2.9035 5.2188 1.4143 2.2911
H 22 7.6548 6.6486 2.8242 5.3673 0.5374 1.4142
H 23 6.6486 6.1491 2.1241 4.6776 1.6639 1.4143
H 24 5.8449 5.5001 1.6788 4.0016 2.4531 2.2911
H 25 5.5286 4.9165 0.8901 3.4584 2.2910 2.4531
H 26 1.0698 1.9037 5.5256 2.9083 8.4250 8.7345
H 27 1.9037 1.9037 5.8809 3.2380 8.7344 9.1180
H 28 1.9037 1.0697 5.1222 2.5121 7.9372 8.3575
H 29 0.6201 2.0938 4.3461 2.0631 7.2364 7.4294
H 30 0.6201 2.6200 5.2189 2.9036 8.1029 8.2757
H 31 0.6200 2.0938 5.3674 2.8243 8.2756 8.5355
H 32 2.0939 0.6200 4.6777 2.1242 7.4575 7.9033
H 33 2.6200 0.6201 4.0017 1.6789 6.6936 7.1869
H 34 2.0939 0.6201 3.4584 0.8901 6.2844 6.6936
H 19 H 20 H 21 H 22 H 23 H 24
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H 19 0.0000
H 20 2.2910 0.0000
H 21 2.4531 0.8768 0.0000
H 22 1.6639 1.2399 0.8769 0.0000
H 23 0.5374 2.3532 2.6924 2.0000 0.0000
H 24 1.4142 2.6924 3.2401 2.6923 0.8768 0.0000
H 25 1.6639 2.0000 2.6923 2.3531 1.2399 0.8769
H 26 7.9372 7.2365 8.1029 8.2756 7.4575 6.6936
H 27 8.3574 7.4294 8.2756 8.5354 7.9032 7.1868
H 28 7.6219 6.5912 7.4294 7.7177 7.1868 6.5099
H 29 6.5911 6.2681 7.1444 7.1688 6.0827 5.2656
H 30 7.4294 7.1445 8.0208 8.0425 6.9145 6.0828
H 31 7.7177 7.1689 8.0425 8.1590 7.2234 6.4317
H 32 7.1868 6.0828 6.9145 7.2234 6.7664 6.1200
H 33 6.5099 5.2657 6.0828 6.4317 6.1200 5.5374
H 34 5.9607 4.9897 5.8455 6.0827 5.5323 4.8800
H 25 H 26 H 27 H 28 H 29 H 30
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H 25 0.0000
H 26 6.2845 0.0000
H 27 6.6936 0.8768 0.0000
H 28 5.9608 1.2399 0.8768 0.0000
H 29 4.9897 1.6640 2.4531 2.2910 0.0000
H 30 5.8456 1.4143 2.2910 2.4531 0.8769 0.0000
H 31 6.0828 0.5374 1.4142 1.6639 1.2400 0.8769
H 32 5.5324 1.6639 1.4142 0.5374 2.3532 2.6924
H 33 4.8801 2.4531 2.2910 1.4142 2.6924 3.2401
H 34 4.3018 2.2910 2.4531 1.6640 2.0000 2.6924
H 31 H 32 H 33 H 34
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H 31 0.0000
H 32 2.0000 0.0000
H 33 2.6923 0.8768 0.0000
H 34 2.3532 1.2400 0.8769 0.0000
ATOMIC CHARGES
O 1 -0.4424174069
O 2 -0.4424174069
O 3 -0.2227632105
O 4 -0.2227632105
N 5 -0.0475485026
N 6 -0.0475485026
C 7 0.1068877286
C 8 0.1068877286
C 9 -0.0253119884
C 10 -0.0253119884
C 11 -0.0253119884
C 12 -0.0253119884
C 13 -0.0253119884
C 14 -0.0253119884
C 15 0.4407727213
C 16 0.4407727213
H 17 0.0267782928
H 18 0.0267782928
H 19 0.0267782928
H 20 0.0267782928
H 21 0.0267782928
H 22 0.0267782928
H 23 0.0267782928
H 24 0.0267782928
H 25 0.0267782928
H 26 0.0267782928
H 27 0.0267782928
H 28 0.0267782928
H 29 0.0267782928
H 30 0.0267782928
H 31 0.0267782928
H 32 0.0267782928
H 33 0.0267782928
H 34 0.0267782928
BOND ANGLES
16 1 7 C2 O3 C3 120.001
1 7 12 O3 C3 C3 179.974
1 7 13 O3 C3 C3 90.000
1 7 14 O3 C3 C3 90.000
7 1 16 C3 O3 C2 120.001
15 2 8 C2 O3 C3 119.999
2 8 9 O3 C3 C3 179.974
2 8 10 O3 C3 C3 90.000
2 8 11 O3 C3 C3 90.000
8 2 15 C3 O3 C2 119.999
16 5 6 C2 Nam Nam 119.999
5 6 15 Nam Nam C2 120.001
6 5 16 Nam Nam C2 119.999
13 7 12 C3 C3 C3 90.000
7 12 26 C3 C3 HC 90.001
7 12 27 C3 C3 HC 179.974
7 12 28 C3 C3 HC 89.999
14 7 12 C3 C3 C3 90.000
7 12 26 C3 C3 HC 90.001
7 12 27 C3 C3 HC 179.974
7 12 28 C3 C3 HC 89.999
12 7 13 C3 C3 C3 90.000
7 13 29 C3 C3 HC 89.996
7 13 30 C3 C3 HC 179.974
7 13 31 C3 C3 HC 89.999
14 7 13 C3 C3 C3 179.974
7 13 29 C3 C3 HC 89.996
7 13 30 C3 C3 HC 179.974
7 13 31 C3 C3 HC 89.999
12 7 14 C3 C3 C3 90.000
7 14 32 C3 C3 HC 90.001
7 14 33 C3 C3 HC 179.974
7 14 34 C3 C3 HC 90.004
13 7 14 C3 C3 C3 179.974
7 14 32 C3 C3 HC 90.001
7 14 33 C3 C3 HC 179.974
7 14 34 C3 C3 HC 90.004
10 8 9 C3 C3 C3 90.000
8 9 17 C3 C3 HC 90.001
8 9 18 C3 C3 HC 179.974
8 9 19 C3 C3 HC 89.999
11 8 9 C3 C3 C3 90.000
8 9 17 C3 C3 HC 90.001
8 9 18 C3 C3 HC 179.974
8 9 19 C3 C3 HC 89.999
9 8 10 C3 C3 C3 90.000
8 10 20 C3 C3 HC 90.001
8 10 21 C3 C3 HC 179.974
8 10 22 C3 C3 HC 89.999
11 8 10 C3 C3 C3 179.974
8 10 20 C3 C3 HC 90.001
8 10 21 C3 C3 HC 179.974
8 10 22 C3 C3 HC 89.999
9 8 11 C3 C3 C3 90.000
8 11 23 C3 C3 HC 90.001
8 11 24 C3 C3 HC 179.974
8 11 25 C3 C3 HC 89.999
10 8 11 C3 C3 C3 179.974
8 11 23 C3 C3 HC 90.001
8 11 24 C3 C3 HC 179.974
8 11 25 C3 C3 HC 89.999
18 9 17 HC C3 HC 89.995
19 9 17 HC C3 HC 179.974
17 9 18 HC C3 HC 89.995
19 9 18 HC C3 HC 90.005
17 9 19 HC C3 HC 179.974
18 9 19 HC C3 HC 90.005
21 10 20 HC C3 HC 89.995
22 10 20 HC C3 HC 179.974
20 10 21 HC C3 HC 89.995
22 10 21 HC C3 HC 90.005
20 10 22 HC C3 HC 179.974
21 10 22 HC C3 HC 90.005
24 11 23 HC C3 HC 89.995
25 11 23 HC C3 HC 179.974
23 11 24 HC C3 HC 89.995
25 11 24 HC C3 HC 90.005
23 11 25 HC C3 HC 179.974
24 11 25 HC C3 HC 90.005
27 12 26 HC C3 HC 90.000
28 12 26 HC C3 HC 179.974
26 12 27 HC C3 HC 90.000
28 12 27 HC C3 HC 90.000
26 12 28 HC C3 HC 179.974
27 12 28 HC C3 HC 90.000
30 13 29 HC C3 HC 90.000
31 13 29 HC C3 HC 179.974
29 13 30 HC C3 HC 90.000
31 13 30 HC C3 HC 90.005
29 13 31 HC C3 HC 179.974
30 13 31 HC C3 HC 90.005
33 14 32 HC C3 HC 89.995
34 14 32 HC C3 HC 179.974
32 14 33 HC C3 HC 89.995
34 14 33 HC C3 HC 90.000
32 14 34 HC C3 HC 179.974
33 14 34 HC C3 HC 90.000
TORSION ANGLES
16 1 7 12 180.000
16 1 7 13 179.974
16 1 7 14 0.026
7 1 16 3 0.026
7 1 16 5 179.974
15 2 8 9 180.000
15 2 8 10 179.974
15 2 8 11 0.026
8 2 15 4 0.026
8 2 15 6 179.974
16 5 6 15 179.974
6 5 16 1 179.974
6 5 16 3 0.026
5 6 15 2 179.974
5 6 15 4 0.026
1 7 12 26 180.000
1 7 12 27 180.000
1 7 12 28 180.000
13 7 12 26 0.026
13 7 12 27 179.974
13 7 12 28 179.974
14 7 12 26 179.974
14 7 12 27 0.026
14 7 12 28 0.026
1 7 13 29 0.026
1 7 13 30 0.026
1 7 13 31 179.974
12 7 13 29 179.974
12 7 13 30 179.974
12 7 13 31 0.026
14 7 13 29 179.974
14 7 13 30 179.974
14 7 13 31 0.026
1 7 14 32 179.974
1 7 14 33 179.974
1 7 14 34 0.026
12 7 14 32 0.026
12 7 14 33 0.026
12 7 14 34 179.974
13 7 14 32 0.026
13 7 14 33 0.026
13 7 14 34 179.974
2 8 9 17 180.000
2 8 9 18 180.000
2 8 9 19 180.000
10 8 9 17 0.026
10 8 9 18 0.026
10 8 9 19 179.974
11 8 9 17 179.974
11 8 9 18 179.974
11 8 9 19 0.026
2 8 10 20 0.026
2 8 10 21 0.026
2 8 10 22 179.974
9 8 10 20 179.974
9 8 10 21 179.974
9 8 10 22 0.026
11 8 10 20 179.974
11 8 10 21 179.974
11 8 10 22 0.026
2 8 11 23 179.974
2 8 11 24 179.974
2 8 11 25 0.026
9 8 11 23 0.026
9 8 11 24 0.026
9 8 11 25 179.974
10 8 11 23 0.026
10 8 11 24 0.026
10 8 11 25 179.974
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