SMILES:n1(ncc2c1ccc(c2)N)C1CC1	

FORMULA: C10H11N3
MASS: 173.2144
EXACT MASS: 173.0952974
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.5300     0.0000 
   C   3    0.4730     0.8159     0.0000 
   C   4    0.7667     0.7912     0.4750     0.0000 
   C   5    0.4863     0.9247     0.8321     1.2279     0.0000 
   C   6    0.7666     0.4658     0.7667     0.4730     1.2460     0.0000 
   C   7    1.0176     1.4677     1.2622     1.7097     0.5453     1.7838 
   C   8    0.9661     1.2455     1.3703     1.7326     0.5450     1.6576 
   C   9    0.8628     1.2819     0.4703     0.8176     1.0376     1.2109 
   C  10    1.2109     1.2509     0.8176     0.4703     1.6410     0.8628 
   C  11    1.4106     1.5954     0.9448     0.8167     1.7550     1.2751 
   C  12    1.2751     1.6077     0.8167     0.9448     1.5048     1.4106 
   N  13    1.8839     2.0414     1.4187     1.2511     2.2241     1.6815 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5449     0.0000 
   C   9    1.2936     1.5709     0.0000 
   C  10    2.0760     2.1670     0.9416     0.0000 
   C  11    2.0960     2.2997     0.8176     0.4703     0.0000 
   C  12    1.7502     2.0407     0.4703     0.8176     0.4750     0.0000 
   N  13    2.5419     2.7691     1.2491     0.8208     0.4739     0.8197 

              N  13
              -----------
   N  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2528019151
   N   2   -0.1677631984
   C   3    0.0793826485
   C   4    0.0395045208
   C   5    0.1052975265
   C   6    0.1216157002
   C   7    0.0263403726
   C   8    0.0263403726
   C   9    0.0201633903
   C  10    0.0211484476
   C  11    0.0892388974
   C  12    0.0195885988
   N  13   -0.1280553620


BOND ANGLES
   6    4    3  Car  Car  Car    107.952
   4    3    1  Car  Car  Nar    107.952
   7    8    5   C3   C3   C3     60.039
   8    5    1   C3   C3  Nar    138.968
  10   11   12  Car  Car  Car    119.743
  11   12    9  Car  Car  Car    119.743
   5    8    7   C3   C3   C3     60.039
   8    7    5   C3   C3   C3     59.987
   3    4    6  Car  Car  Car    107.952
   4    6    2  Car  Car  Nar    114.872
  12   11   10  Car  Car  Car    119.743
  11   10    4  Car  Car  Car    120.519


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


CHIRAL ATOMS
   N     1 is chiral: counterclockwise
   C     5 is chiral: counterclockwise