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t-butyl carbazate |
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ID: B184379 CAS:870-46-2 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:C(=O)(OC(C)(C)C)NN FORMULA: C5H12N2O2
MASS: 132.1610
EXACT MASS: 132.0898776
INTERATOMIC DISTANCES
C 1 O 2 O 3 N 4 C 5 N 6
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C 1 0.0000
O 2 0.7468 0.0000
O 3 0.7375 1.2864 0.0000
N 4 0.7432 1.2875 1.2843 0.0000
C 5 1.2833 0.7396 1.4801 1.9612 0.0000
N 6 1.2792 1.9612 1.4766 0.7396 2.5625 0.0000
C 7 1.4801 1.2822 1.2833 2.2233 0.7375 2.6665
C 8 1.8870 1.4735 1.8249 2.6140 0.7454 3.1360
C 9 1.9693 1.2875 2.2305 2.5750 0.7504 3.2343
C 7 C 8 C 9
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C 7 0.0000
C 8 0.5703 0.0000
C 9 1.2885 0.9081 0.0000
ATOMIC CHARGES
C 1 0.4387541514
O 2 -0.4398395994
O 3 -0.2229945279
N 4 -0.0550604178
C 5 0.1379203043
N 6 0.0099917843
C 7 0.0437427684
C 8 0.0437427684
C 9 0.0437427684
BOND ANGLES
TORSION ANGLES
5 2 1 3 0.026
5 2 1 4 179.974
6 4 1 2 179.974
6 4 1 3 0.026
7 5 2 1 0.026
8 5 2 1 0.026
9 5 2 1 179.974
CHIRAL ATOMS
C 5 is chiral: counterclockwise
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