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1,1-(azodicarbonyl)dipiperidine |
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ID: CHH15539 CAS:10465-81-3 Supplier:ChemiK Co.,Ltd. SMILES:N(=N\C(=O)N1CCCCC1)/C(=O)N1CCCCC1 FORMULA: C12H20N4O2
MASS: 252.3128
EXACT MASS: 252.1586259
INTERATOMIC DISTANCES
N 1 N 2 C 3 O 4 C 5 O 6
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N 1 0.0000
N 2 0.5962 0.0000
C 3 0.5962 1.0326 0.0000
O 4 1.0327 1.1925 0.5962 0.0000
C 5 1.0327 0.5963 1.5775 1.7888 0.0000
O 6 1.5775 1.0328 2.0654 2.1498 0.5963 0.0000
N 7 1.0328 1.5775 0.5963 1.0327 2.0655 2.5990
C 8 1.5775 2.0654 1.0328 1.1924 2.5990 3.0982
C 9 2.0655 2.5989 1.5776 1.7887 3.0982 3.6268
C 10 2.1498 2.7323 1.7888 2.1497 3.1550 3.7235
C 11 1.7888 2.3849 1.5775 2.0654 2.7323 3.3198
C 12 1.1925 1.7887 1.0328 1.5775 2.1498 2.7324
N 13 1.1925 1.0327 1.7887 2.1498 0.5962 1.0327
C 14 1.0328 1.1925 1.5775 2.0655 1.0327 1.5775
C 15 1.5776 1.7888 2.0655 2.5990 1.5775 2.0655
C 16 2.0655 2.1498 2.5989 3.0982 1.7887 2.1498
C 17 2.1498 2.0655 2.7323 3.1551 1.5775 1.7888
C 18 1.7888 1.5776 2.3850 2.7324 1.0327 1.1925
N 7 C 8 C 9 C 10 C 11 C 12
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N 7 0.0000
C 8 0.5962 0.0000
C 9 1.0327 0.5963 0.0000
C 10 1.1924 1.0327 0.5962 0.0000
C 11 1.0327 1.1924 1.0326 0.5962 0.0000
C 12 0.5963 1.0328 1.1925 1.0327 0.5962 0.0000
N 13 2.1498 2.7323 3.1550 3.0982 2.5990 2.0655
C 14 1.7888 2.3850 2.7323 2.5990 2.0655 1.5775
C 15 2.1498 2.7323 2.9812 2.7323 2.1498 1.7887
C 16 2.7323 3.3197 3.5774 3.3197 2.7323 2.3849
C 17 2.9813 3.5775 3.9099 3.7236 3.1551 2.7323
C 18 2.7324 3.3198 3.7236 3.6269 3.0983 2.5990
N 13 C 14 C 15 C 16 C 17 C 18
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N 13 0.0000
C 14 0.5963 0.0000
C 15 1.0328 0.5963 0.0000
C 16 1.1925 1.0327 0.5962 0.0000
C 17 1.0328 1.1925 1.0328 0.5963 0.0000
C 18 0.5963 1.0328 1.1926 1.0328 0.5963 0.0000
ATOMIC CHARGES
N 1 -0.0691534385
N 2 -0.0691534385
C 3 0.3429155309
O 4 -0.2490245262
C 5 0.3429155309
O 6 -0.2490245262
N 7 -0.2615661761
C 8 0.0950417328
C 9 0.0216154557
C 10 0.0035142328
C 11 0.0216154557
C 12 0.0950417328
N 13 -0.2615661761
C 14 0.0950417328
C 15 0.0216154557
C 16 0.0035142328
C 17 0.0216154557
C 18 0.0950417328
BOND ANGLES
3 1 2 C2 Nam Nam 120.001
1 2 5 Nam Nam C2 120.001
7 3 4 Nam C2 O2 119.986
2 1 3 Nam Nam C2 120.001
1 3 4 Nam C2 O2 120.009
1 3 7 Nam C2 Nam 120.005
13 5 6 Nam C2 O2 120.002
12 7 8 C3 Nam C3 120.005
7 8 9 Nam C3 C3 119.996
8 7 12 C3 Nam C3 120.005
4 3 7 O2 C2 Nam 119.986
3 7 8 C2 Nam C3 120.005
3 7 12 C2 Nam C3 119.991
18 13 14 C3 Nam C3 119.996
13 14 15 Nam C3 C3 120.007
14 13 18 C3 Nam C3 119.996
6 5 13 O2 C2 Nam 120.002
5 13 14 C2 Nam C3 120.002
5 13 18 C2 Nam C3 120.001
TORSION ANGLES
3 1 2 5 179.974
2 1 3 4 0.026
2 1 3 7 179.974
1 2 5 6 179.974
1 2 5 13 0.026
12 7 8 9 0.026
3 7 8 9 179.974
7 8 9 10 0.026
8 9 10 11 0.026
9 10 11 12 0.026
10 11 12 7 0.026
8 7 12 11 0.026
3 7 12 11 179.974
4 3 7 8 0.026
4 3 7 12 179.974
1 3 7 8 179.974
1 3 7 12 0.026
18 13 14 15 0.026
5 13 14 15 179.974
13 14 15 16 0.026
14 15 16 17 0.026
15 16 17 18 0.026
16 17 18 13 0.026
14 13 18 17 0.026
5 13 18 17 179.974
6 5 13 14 179.974
6 5 13 18 0.026
2 5 13 14 0.026
2 5 13 18 179.974
CHIRAL ATOMS
N 7 is chiral: counterclockwise
N 13 is chiral: counterclockwise
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