SMILES:C(=N)(c1ccc(cc1)Cl)N.I	

FORMULA: C7H8ClIN2
MASS: 282.5093
EXACT MASS: 281.9420739
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7426     0.0000 
   N   3    0.7375     1.2792     0.0000 
   C   4    1.2864     0.7458     1.9595     0.0000 
   C   5    1.2875     0.7391     1.4838     1.2843     0.0000 
   N   6    0.7354     1.2833     1.2750     1.4843     1.9596     0.0000 
   C   7    2.2233     1.4807     2.6699     1.2792     1.2822     2.6688 
   C   8    1.9610     1.2843     2.5635     0.7391     1.4792     2.2233 
   C   9    1.9596     1.2792     2.2192     1.4807     0.7354     2.5625 
  Cl  10    2.9660     2.2233     3.3945     1.9596     1.9583     3.3957 
   I  11    3.6932     3.0292     3.8373     3.1197     2.4155     4.3125 

              C   7      C   8      C   9     Cl  10      I  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.7354     0.0000 
   C   9    0.7458     1.2822     0.0000 
  Cl  10    0.7426     1.2833     1.2864     0.0000 
   I  11    1.9023     2.6340     1.7500     1.5675     0.0000 



ATOMIC CHARGES
   C   1    0.4766090777
   C   2    0.0975306081
   N   3    0.2047061705
   C   4    0.0088578583
   C   5    0.0088578583
   N   6    0.2047061705
   C   7    0.0576779802
   C   8    0.0116493534
   C   9    0.0116493534
  Cl  10   -0.0822444304
   I  11    0.0000000000


BOND ANGLES
   7    8    4  Car  Car  Car    120.346
   8    4    2  Car  Car  Car    119.746
   4    8    7  Car  Car  Car    120.346
   8    7    9  Car  Car  Car    119.908


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