SMILES:c1c(nccc1OCC)C	

FORMULA: C8H11NO
MASS: 137.1790
EXACT MASS: 137.0840640
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8333     0.0000 
   N   3    1.4352     0.8233     0.0000 
   C   4    0.8233     1.4352     1.6583     0.0000 
   C   5    1.4352     0.8233     1.4250     2.1865     0.0000 
   C   6    1.6508     1.4250     0.8233     1.4352     2.1769     0.0000 
   C   7    1.4250     1.6466     1.4280     0.8275     2.4699     0.8250 
   O   8    1.4301     2.1913     2.4833     0.8250     2.8652     2.1886 
   C   9    1.6500     2.4833     2.9812     1.4259     2.9832     2.8610 
   C  10    1.4259     2.1886     2.8610     1.6430     2.4833     2.9731 

              C   7      O   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   O   8    1.4331     0.0000 
   C   9    2.1837     0.8233     0.0000 
   C  10    2.4704     1.4250     0.8233     0.0000 



ATOMIC CHARGES
   C   1    0.0516281524
   C   2    0.0624100982
   N   3   -0.2479335745
   C   4    0.1412806614
   C   5    0.0521953622
   C   6    0.1015674056
   C   7    0.0575305556
   O   8   -0.4753703229
   C   9    0.2055270869
   C  10    0.0511645750


BOND ANGLES
   6    3    2  Car  Nar  Car    119.863
   3    2    1  Nar  Car  Car    120.069
   2    3    6  Car  Nar  Car    119.863
   3    6    7  Nar  Car  Car    120.069


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