SMILES:N1(c2ccc(C#N)cc2)CCNCC1	

FORMULA: C11H13N3
MASS: 187.2410
EXACT MASS: 187.1109474
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    4.9208     0.0000 
   C   3    3.9458     0.9750     0.0000 
   C   4    0.9750     3.9458     2.9708     0.0000 
   N   5    1.9667     6.8875     5.9125     2.9417     0.0000 
   C   6    1.7072     3.5572     2.6224     0.9985     3.5451     0.0000 
   C   7    1.6988     3.5532     2.6169     0.9840     3.5410     1.7167 
   C   8    2.9458     1.9750     1.0000     1.9708     4.9125     1.7108 
   C   9    2.6129     2.5933     1.7024     1.7204     4.5182     1.9867 
   C  10    2.6184     2.5988     1.7108     1.7288     4.5213     1.0000 
   C  11    1.0006     5.4896     4.5295     1.7108     1.7036     1.9708 
   C  12    0.9862     5.4870     4.5263     1.7024     1.6952     2.6136 
   C  13    1.7108     6.4543     5.4896     2.5988     0.9965     2.9458 
   C  14    1.7024     6.4520     5.4870     2.5933     0.9820     3.4095 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7024     0.0000 
   C   9    1.0000     0.9737     0.0000 
   C  10    1.9867     0.9883     1.7167     0.0000 
   C  11    2.6136     3.5531     3.4311     2.9708     0.0000 
   C  12    1.9708     3.5491     2.9708     3.4311     1.7167     0.0000 
   C  13    3.4095     4.5050     4.3031     3.9458     0.9750     1.9743 
   C  14    2.9458     4.5018     3.9458     4.3031     1.9743     0.9750 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.7167     0.0000 



ATOMIC CHARGES
   N   1   -0.3045488568
   N   2   -0.1908306549
   C   3    0.1004142777
   C   4    0.0479634678
   N   5   -0.2144423226
   C   6    0.0152067509
   C   7    0.0152067509
   C   8    0.0685302374
   C   9    0.0115443095
   C  10    0.0115443095
   C  11    0.1095934939
   C  12    0.1095934939
   C  13    0.1101123714
   C  14    0.1101123714


BOND ANGLES
  13    5   14   C3   N3   C3    120.385
   5   14   12   N3   C3   C3    120.048
  10    8    9  Car  Car  Car    122.077
   8    9    7  Car  Car  Car    119.197
  14    5   13   C3   N3   C3    120.385
   5   13   11   N3   C3   C3    119.567
   9    8   10  Car  Car  Car    122.077
   8   10    6  Car  Car  Car    118.725


TORSION ANGLES
   2    3    8    9    180.000
   2    3    8   10    180.000
   6    4    1   11      0.026
   6    4    1   12    179.974
   7    4    1   11    179.974
   7    4    1   12      0.026
  13    5   14   12      0.026
  10    6    4    1    179.974
  10    6    4    7      0.026
   9    7    4    1    179.974
   9    7    4    6      0.026
   3    8    9    7    179.974
  10    8    9    7      0.026
   8    9    7    4      0.026
   8   10    6    4      0.026
  13   11    1    4    179.974
  13   11    1   12      0.026
  14   12    1    4    179.974
  14   12    1   11      0.026
   5   13   11    1      0.026
   5   14   12    1      0.026
  14    5   13   11      0.026
   3    8   10    6    179.974
   9    8   10    6      0.026


CHIRAL ATOMS
   N     1 is chiral: counterclockwise