SMILES:c1(cnccc1OCC)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    1.6508     1.4250     0.8233     1.4352     0.0000 
   C   6    1.4250     1.6466     1.4280     0.8275     0.8250     0.0000 
   O   7    1.4300     2.1913     2.4833     0.8250     2.1886     1.4331 
   C   8    1.6500     2.4833     2.9812     1.4259     2.8611     2.1838 
   C   9    1.4259     2.1886     2.8611     1.6430     2.9731     2.4705 
   C  10    0.8251     1.4360     2.1877     1.4273     2.4758     2.1807 

              O   7      C   8      C   9      C  10
              --------------------------------------------
   O   7    0.0000 
   C   8    0.8233     0.0000 
   C   9    1.4250     0.8233     0.0000 
   C  10    1.6523     1.4315     0.8254     0.0000 



ATOMIC CHARGES
   C   1    0.0312393167
   C   2    0.0975847463
   N   3   -0.2424425620
   C   4    0.1375627681
   C   5    0.1019825209
   C   6    0.0572256731
   O   7   -0.4756793014
   C   8    0.2055121581
   C   9    0.0511643654
   C  10    0.0358503147


BOND ANGLES
   5    3    2  Car  Nar  Car    119.863
   3    2    1  Nar  Car  Car    120.069
   2    3    5  Car  Nar  Car    119.863
   3    5    6  Nar  Car  Car    120.069


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