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2-Azetidinone
2-Azetidinone ID: API-42859
CAS:930-21-2
Supplier:APIchem

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SMILES:O=C1NCC1	ChemMol.com
FORMULA: C3H5NO
MASS: 71.0779
EXACT MASS: 71.0371138
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      H   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    1.8478     0.0000 
   C   3    2.4143     1.0000     0.0000 
   C   4    1.8478     1.4142     1.0000     0.0000 
   C   5    1.0001     1.0000     1.4142     1.0000     0.0000 
   H   6    2.8862     1.1766     0.6200     1.6200     1.9038     0.0000 
   H   7    2.8862     1.6200     0.6200     1.1766     1.9038     0.8768 
   H   8    2.4322     1.9038     1.1766     0.6200     1.6200     1.7346 
   H   9    1.7093     1.9038     1.6200     0.6200     1.1766     2.2400 
   H  10    2.1624     0.6200     1.5037     2.0342     1.5037     1.4498 

              H   7      H   8      H   9      H  10
              --------------------------------------------
   H   7    0.0000 
   H   8    1.0000     0.0000 
   H   9    1.7346     0.8768     0.0000 
   H  10    2.1046     2.5112     2.5112     0.0000 



ATOMIC CHARGES
   O   1   -0.2757626773
   N   2   -0.3148032442
   C   3    0.0198389607
   C   4    0.0394837700
   C   5    0.2145252987
   H   6    0.0466511357
   H   7    0.0466511357
   H   8    0.0373635891
   H   9    0.0373635891
   H  10    0.1486884424


BOND ANGLES
   3    2    5   C3  Nam   C2     90.000
   3    2   10   C3  Nam   HC    135.000
   5    2   10   C2  Nam   HC    135.000
   2    3    4  Nam   C3   C3     90.000
   2    3    6  Nam   C3   HC     90.000
   2    3    7  Nam   C3   HC    179.974
   4    3    6   C3   C3   HC    179.974
   4    3    7   C3   C3   HC     90.000
   6    3    7   HC   C3   HC     90.000
   3    4    5   C3   C3   C2     90.000
   3    4    8   C3   C3   HC     90.000
   3    4    9   C3   C3   HC    179.974
   5    4    8   C2   C3   HC    179.974
   5    4    9   C2   C3   HC     90.000
   8    4    9   HC   C3   HC     90.000
   1    5    2   O2   C2  Nam    135.004
   1    5    4   O2   C2   C3    134.996
   2    5    4  Nam   C2   C3     90.000


TORSION ANGLES
   5    2    3    4      0.026
   5    2    3    6    179.974
   5    2    3    7    180.000
  10    2    3    4    179.974
  10    2    3    6      0.026
  10    2    3    7    180.000
   3    2    5    1    179.974
   3    2    5    4      0.026
  10    2    5    1      0.026
  10    2    5    4    179.974
   2    3    4    5      0.026
   2    3    4    8    179.974
   2    3    4    9    180.000
   6    3    4    5    180.000
   6    3    4    8    180.000
   6    3    4    9    180.000
   7    3    4    5    179.974
   7    3    4    8      0.026
   7    3    4    9    180.000
   3    4    5    1    179.974
   3    4    5    2      0.026
   8    4    5    1    180.000
   8    4    5    2    180.000
   9    4    5    1      0.026
   9    4    5    2    179.974