SMILES:c12ncccc1CCCC2O	

FORMULA: C9H11NO
MASS: 149.1897
EXACT MASS: 149.0840640
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7468     0.0000 
   C   3    0.7458     1.2956     0.0000 
   C   4    0.7432     1.2875     1.2894     0.0000 
   O   5    1.2879     1.4859     1.9686     0.7417     0.0000 
   C   6    1.4915     2.2383     1.2875     1.2956     1.9727     0.0000 
   C   7    1.2833     0.7375     1.4900     1.9604     2.2233     2.6820 
   C   8    1.2915     1.9736     0.7396     1.4958     2.2375     0.7504 
   C   9    1.2917     1.9727     1.4900     0.7483     1.2885     0.7500 
   C  10    1.2864     1.4875     0.7463     1.9673     2.5743     1.9719 
   C  11    1.4801     1.2822     1.2875     2.2233     2.6728     2.5750 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.2296     0.0000 
   C   9    2.5750     1.2993     0.0000 
   C  10    1.2859     1.2875     2.2363     0.0000 
   C  11    0.7417     1.9628     2.6797     0.7396     0.0000 



ATOMIC CHARGES
   C   1    0.0851866379
   N   2   -0.2459591267
   C   3   -0.0061356857
   C   4    0.1912537376
   O   5   -0.2166683624
   C   6    0.0077336634
   C   7    0.0985176704
   C   8    0.0277270438
   C   9    0.0394384128
   C  10   -0.0014299619
   C  11    0.0203359708


BOND ANGLES
   6    8    3   C3   C3  Car    119.553
   8    3    1   C3  Car  Car    120.788
   7   11   10  Car  Car  Car    120.466
  11   10    3  Car  Car  Car    120.105
   3    8    6  Car   C3   C3    119.553
   8    6    9   C3   C3   C3    119.982
  10   11    7  Car  Car  Car    120.466
  11    7    2  Car  Car  Nar    120.184


TORSION ANGLES
   7    2    1    3      0.026
   7    2    1    4    179.974
   8    3    1    2    179.974
   8    3    1    4      0.026
  10    3    1    2      0.026
  10    3    1    4    179.974
   5    4    1    2      0.026
   5    4    1    3    179.974
   9    4    1    2    179.974
   9    4    1    3      0.026
   8    6    9    4      0.026
  11    7    2    1      0.026
   6    8    3    1      0.026
   6    8    3   10    179.974
   6    9    4    1      0.026
   6    9    4    5    179.974
  11   10    3    1      0.026
  11   10    3    8    179.974
   7   11   10    3      0.026
   3    8    6    9      0.026
  10   11    7    2      0.026


CHIRAL ATOMS
   C     4 is chiral: counterclockwise