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4-nitrobutanamide
4-nitrobutanamide
ID: BP-11991
CAS:15473-27-5
Supplier:BroadPharm

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SMILES:C(CCC(=O)N)[N+](=O)[O-]	
FORMULA: C4H8N2O3
MASS: 132.1179
EXACT MASS: 132.0534921
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6001     0.0000 
   C   3    1.0393     0.6000     0.0000 
   N   4    0.5995     1.0375     1.5861     0.0000 
   O   5    0.5963     1.1964     1.5849     0.5979     0.0000 
   O   6    0.6010     0.6006     1.2006     0.5979     1.0356     0.0000 
   C   7    1.5861     1.0374     0.5995     2.0749     2.1593     1.5855 
   O   8    1.5849     1.1963     0.5963     2.1593     2.0749     1.7969 
   N   9    1.2006     0.6005     0.6010     1.5855     1.7969     1.0393 

              C   7      O   8      N   9
              ---------------------------------
   C   7    0.0000 
   O   8    0.5979     0.0000 
   N   9    0.5979     1.0356     0.0000 



ATOMIC CHARGES
   C   1    0.3862597053
   C   2    0.1010696455
   C   3    0.0959784108
   N   4    0.0605326379
   O   5    0.0354971718
   O   6   -0.5808691164
   C   7    0.2609722398
   O   8   -0.2716502361
   N   9   -0.0877904586


BOND ANGLES
   2    1    4   C3   C3  Ntr    119.743
   1    2    3   C3   C3   C3    120.003
   2    3    7   C3   C3   C2    119.739
   1    4    5   C3  Ntr   O2     59.739
   1    4    6   C3  Ntr   O-     60.256
   5    4    6   O2  Ntr   O-    119.996
   3    7    8   C3   C2   O2     59.739
   3    7    9   C3   C2  Nam     60.256
   8    7    9   O2   C2  Nam    119.996


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