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t-butyl carbazate
t-butyl carbazate ID: B184379
CAS:870-46-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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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
              ------------------------------------------------------------------
   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
              ---------------------------------
   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
   2    1    3   O3   C2   O2    120.143
   2    1    4   O3   C2  Nam    119.556
   3    1    4   O2   C2  Nam    120.301
   1    2    5   C2   O3   C3    119.392
   1    4    6   C2  Nam   N3    119.233
   2    5    7   O3   C3   C3    120.466
   2    5    8   O3   C3   C3    165.694
   2    5    9   O3   C3   C3    119.553
   7    5    8   C3   C3   C3     45.228
   7    5    9   C3   C3   C3    119.982
   8    5    9   C3   C3   C3     74.753


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