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tert-Butyl carbazate
tert-Butyl carbazate ID: API-42665
CAS:870-46-2
Supplier:APIchem

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SMILES:O(C(C)(C)C)C(=O)NN	ChemMol.com
FORMULA: C5H12N2O2
MASS: 132.1610
EXACT MASS: 132.0898776
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7321     0.0000 
   N   3    1.7321     1.7320     0.0000 
   N   4    2.6458     2.0000     1.0000     0.0000 
   C   5    1.0000     2.0000     2.6458     3.4641     0.0000 
   C   6    2.0000     2.6458     3.6055     4.3589     1.0000     0.0000 
   C   7    1.4142     2.9093     3.1196     4.0576     1.0000     1.4142 
   C   8    1.4142     1.2394     2.5036     3.0880     1.0000     1.4142 
   C   9    1.0001     1.0000     1.0000     1.7320     1.7321     2.6458 
   H  10    2.0939     3.0874     3.8024     4.6402     1.1766     0.6200 
   H  11    2.6199     3.1408     4.2100     4.9339     1.6199     0.6200 
   H  12    2.0938     2.2884     3.5086     4.1517     1.1766     0.6200 
   H  13    1.0697     2.7583     2.6488     3.6233     1.1766     1.9038 
   H  14    1.9038     3.4981     3.5257     4.4985     1.6200     1.9038 
   H  15    1.9037     3.1762     3.6354     4.5352     1.1766     1.0697 
   H  16    1.9037     1.7777     3.1229     3.6932     1.1766     1.0698 
   H  17    1.9038     1.0063     2.6113     3.0021     1.6200     1.9038 
   H  18    1.0698     0.8248     1.8847     2.4900     1.1766     1.9038 
   H  19    1.8397     2.2901     0.6200     1.4158     2.8292     3.8242 
   H  20    3.1409     2.6200     1.4158     0.6201     4.0131     4.9340 
   H  21    2.8292     1.7732     1.4158     0.6200     3.5191     4.3318 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    2.3942     1.5060     0.0000 
   H  10    1.0698     1.9037     2.9083     0.0000 
   H  11    1.9037     1.9037     3.2380     0.8768     0.0000 
   H  12    1.9037     1.0697     2.5121     1.2399     0.8768     0.0000 
   H  13    0.6201     2.0938     2.0631     1.6640     2.4531     2.2910 
   H  14    0.6201     2.6200     2.9036     1.4143     2.2910     2.4531 
   H  15    0.6200     2.0938     2.8243     0.5374     1.4142     1.6639 
   H  16    2.0939     0.6200     2.1242     1.6639     1.4142     0.5374 
   H  17    2.6200     0.6201     1.6789     2.4531     2.2910     1.4142 
   H  18    2.0939     0.6201     0.8901     2.2910     2.4531     1.6640 
   H  19    3.1085     2.8890     1.4158     3.9264     4.4422     3.8211 
   H  20    4.5353     3.6933     2.2901     5.1843     5.5188     4.7520 
   H  21    4.2335     2.9743     1.8396     4.6864     4.8707     4.0417 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8769     0.0000 
   H  15    1.2400     0.8769     0.0000 
   H  16    2.3532     2.6924     2.0000     0.0000 
   H  17    2.6924     3.2401     2.6923     0.8768     0.0000 
   H  18    2.0000     2.6924     2.3532     1.2400     0.8769     0.0000 
   H  19    2.5617     3.4198     3.6785     3.4950     3.0924     2.2904 
   H  20    4.0576     4.9337     5.0440     4.3027     3.6218     3.0880 
   H  21    3.8692     4.7287     4.6521     3.5449     2.7672     2.4279 

              H  19      H  20      H  21
              ---------------------------------
   H  19    0.0000 
   H  20    1.6200     0.0000 
   H  21    1.9436     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.4438325616
   O   2   -0.2250874511
   N   3   -0.2188488959
   N   4   -0.2517323130
   C   5    0.1068237263
   C   6   -0.0253128426
   C   7   -0.0253128426
   C   8   -0.0253128426
   C   9    0.4144138102
   H  10    0.0267782895
   H  11    0.0267782895
   H  12    0.0267782895
   H  13    0.0267782895
   H  14    0.0267782895
   H  15    0.0267782895
   H  16    0.0267782895
   H  17    0.0267782895
   H  18    0.0267782895
   H  19    0.1720877814
   H  20    0.1405549128
   H  21    0.1405549128


BOND ANGLES
   5    1    9   C3   O3   C2    120.001
   4    3    9   N3  Nam   C2    119.999
   4    3   19   N3  Nam   HC    120.001
   9    3   19   C2  Nam   HC    120.001
   3    4   20  Nam   N3   HC    120.002
   3    4   21  Nam   N3   HC    120.001
  20    4   21   HC   N3   HC    119.997
   1    5    6   O3   C3   C3    179.974
   1    5    7   O3   C3   C3     90.000
   1    5    8   O3   C3   C3     90.000
   6    5    7   C3   C3   C3     90.000
   6    5    8   C3   C3   C3     90.000
   7    5    8   C3   C3   C3    179.974
   5    6   10   C3   C3   HC     90.001
   5    6   11   C3   C3   HC    179.974
   5    6   12   C3   C3   HC     89.999
  10    6   11   HC   C3   HC     90.000
  10    6   12   HC   C3   HC    179.974
  11    6   12   HC   C3   HC     90.000
   5    7   13   C3   C3   HC     89.996
   5    7   14   C3   C3   HC    179.974
   5    7   15   C3   C3   HC     89.999
  13    7   14   HC   C3   HC     90.000
  13    7   15   HC   C3   HC    179.974
  14    7   15   HC   C3   HC     90.005
   5    8   16   C3   C3   HC     90.001
   5    8   17   C3   C3   HC    179.974
   5    8   18   C3   C3   HC     90.004
  16    8   17   HC   C3   HC     89.995
  16    8   18   HC   C3   HC    179.974
  17    8   18   HC   C3   HC     90.000
   1    9    2   O3   C2   O2    119.998
   1    9    3   O3   C2  Nam    120.001
   2    9    3   O2   C2  Nam    120.001


TORSION ANGLES
   9    1    5    6    180.000
   9    1    5    7    179.974
   9    1    5    8      0.026
   5    1    9    2      0.026
   5    1    9    3    179.974
   9    3    4   20    179.974
   9    3    4   21      0.026
  19    3    4   20      0.026
  19    3    4   21    179.974
   4    3    9    1    179.974
   4    3    9    2      0.026
  19    3    9    1      0.026
  19    3    9    2    179.974
   1    5    6   10    180.000
   1    5    6   11    180.000
   1    5    6   12    180.000
   7    5    6   10      0.026
   7    5    6   11    179.974
   7    5    6   12    179.974
   8    5    6   10    179.974
   8    5    6   11      0.026
   8    5    6   12      0.026
   1    5    7   13      0.026
   1    5    7   14      0.026
   1    5    7   15    179.974
   6    5    7   13    179.974
   6    5    7   14    179.974
   6    5    7   15      0.026
   8    5    7   13    180.000
   8    5    7   14    180.000
   8    5    7   15    180.000
   1    5    8   16    179.974
   1    5    8   17    179.974
   1    5    8   18      0.026
   6    5    8   16      0.026
   6    5    8   17      0.026
   6    5    8   18    179.974
   7    5    8   16    180.000
   7    5    8   17    180.000
   7    5    8   18    180.000