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2,4-Oxazolidinedione
2,4-Oxazolidinedione ID: API-45564
CAS:2346-26-1
Supplier:APIchem

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SMILES:O1CC(=O)NC1=O	ChemMol.com
FORMULA: C3H3NO3
MASS: 101.0608
EXACT MASS: 101.0112930
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.5876     0.0000 
   O   3    1.7821     3.5201     0.0000 
   N   4    1.6180     1.7819     1.7820     0.0000 
   C   5    1.0000     1.7820     2.5876     1.6180     0.0000 
   C   6    1.6180     1.0000     2.5876     1.0000     0.9999     0.0000 
   C   7    0.9999     2.5875     1.0001     1.0000     1.6180     1.6180 
   H   8    1.6116     1.5351     3.1853     2.0013     0.6199     1.1201 
   H   9    1.1202     2.2972     2.8881     2.1989     0.6200     1.6116 
   H  10    2.2159     1.9762     1.9763     0.6200     2.2159     1.4537 

              C   7      H   8      H   9      H  10
              --------------------------------------------
   C   7    0.0000 
   H   8    2.1988     0.0000 
   H   9    2.0014     0.8297     0.0000 
   H  10    1.4537     2.5412     2.8093     0.0000 



ATOMIC CHARGES
   O   1   -0.4406641519
   O   2   -0.2715663562
   O   3   -0.2260284308
   N   4   -0.2187393170
   C   5    0.1701037972
   C   6    0.2595127557
   C   7    0.4071279773
   H   8    0.0796445228
   H   9    0.0796445228
   H  10    0.1609646800


BOND ANGLES
   5    1    7   C3   O3   C2    108.000
   6    4    7   C2  Nam   C2    107.997
   6    4   10   C2  Nam   HC    126.001
   7    4   10   C2  Nam   HC    126.001
   1    5    6   O3   C3   C2    108.000
   1    5    8   O3   C3   HC    167.999
   1    5    9   O3   C3   HC     84.001
   6    5    8   C2   C3   HC     84.000
   6    5    9   C2   C3   HC    167.999
   8    5    9   HC   C3   HC     83.999
   2    6    4   O2   C2  Nam    125.993
   2    6    5   O2   C2   C3    126.006
   4    6    5  Nam   C2   C3    108.001
   1    7    3   O3   C2   O2    126.004
   1    7    4   O3   C2  Nam    108.001
   3    7    4   O2   C2  Nam    125.995


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