SMILES:c1(nc(ccn1)C)Cl	

FORMULA: C5H5ClN2
MASS: 128.5596
EXACT MASS: 128.0141258
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4     Cl   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7411     0.0000 
   N   3    0.7483     1.2917     0.0000 
   C   4    1.2956     0.7500     1.5008     0.0000 
  Cl   5    0.7500     1.2915     1.2956     1.9805     0.0000 
   C   6    1.2993     1.4958     0.7542     1.3000     1.9845     0.0000 
   C   7    1.4958     1.2931     1.3014     0.7468     2.2458     0.7520 
   C   8    1.9755     1.2963     2.2471     0.7463     2.5877     1.9834 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.2958     0.0000 



ATOMIC CHARGES
   C   1    0.2235901157
   N   2   -0.2211006188
   N   3   -0.2152113882
   C   4    0.0633982015
  Cl   5   -0.0410303368
   C   6    0.1026398555
   C   7    0.0354868182
   C   8    0.0522273529


BOND ANGLES
   7    4    2  Car  Car  Nar    119.509
   4    2    1  Car  Nar  Car    120.655
   2    4    7  Nar  Car  Car    119.509
   4    7    6  Car  Car  Car    120.313


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