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Azepan-4-one
Azepan-4-one ID: API-28859
CAS:105416-56-6
Supplier:APIchem

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SMILES:N1CCC(=O)CCC1	ChemMol.com
FORMULA: C6H11NO
MASS: 113.1576
EXACT MASS: 113.0840640
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.5231     0.0000 
   C   3    2.7444     1.5229     0.0000 
   C   4    3.4221     2.7443     1.5230     0.0000 
   C   5    3.4221     3.4221     2.7444     1.5231     0.0000 
   C   6    2.7443     3.4221     3.4222     2.7444     1.5230     0.0000 
   C   7    1.5229     2.7444     3.4222     3.4222     2.7444     1.5230 
   O   8    4.9186     4.0479     2.5791     1.5229     2.5791     4.0480 

              C   7      O   8
              ----------------------
   C   7    0.0000 
   O   8    4.9186     0.0000 



ATOMIC CHARGES
   N   1   -0.2175819251
   C   2    0.0964454406
   C   3    0.0832622318
   C   4    0.1521490676
   C   5    0.0660304847
   C   6    0.0265507280
   C   7    0.0891543072
   O   8   -0.2960103349


BOND ANGLES
   2    1    7   C3   N3   C3    128.574
   1    2    3   N3   C3   C3    128.572
   2    3    4   C3   C3   C2    128.571
   3    4    5   C3   C2   C3    128.570
   3    4    8   C3   C2   O2    115.716
   5    4    8   C3   C2   O2    115.713
   4    5    6   C2   C3   C3    128.571
   5    6    7   C3   C3   C3    128.573
   1    7    6   N3   C3   C3    128.570


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