SMILES:n1(ncc2c1ccc(c2)N)CC1CC1	

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

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.5325     0.0000 
   C   3    0.7667     0.7953     0.0000 
   C   4    0.4730     0.8198     0.4750     0.0000 
   C   5    0.7666     0.4686     0.4730     0.7667     0.0000 
   C   6    0.5167     0.9948     1.2233     0.8009     1.2833     0.0000 
   C   7    0.7268     1.0792     1.4878     1.1081     1.4557     0.3453 
   C   8    0.8627     1.2857     0.8176     0.4703     1.2109     0.9596 
   C   9    1.1811     1.4421     1.9477     1.5822     1.8648     0.8090 
   C  10    0.9222     1.0381     1.6627     1.3834     1.4913     0.7667 
   C  11    1.2109     1.2548     0.4703     0.8176     0.8627     1.6173 
   C  12    1.4106     1.5995     0.8167     0.9448     1.2751     1.7025 
   C  13    1.2751     1.6119     0.9448     0.8167     1.4106     1.4295 
   N  14    1.8802     2.0414     1.2470     1.4150     1.6773     2.1644 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.3045     0.0000 
   C   9    0.4748     1.7644     0.0000 
   C  10    0.4718     1.6797     0.4732     0.0000 
   C  11    1.9120     0.9416     2.3814     2.1233     0.0000 
   C  12    2.0329     0.8176     2.5069     2.3279     0.4703     0.0000 
   C  13    1.7740     0.4703     2.2348     2.1373     0.8176     0.4750 
   N  14    2.4984     1.2464     2.9714     2.7981     0.8167     0.4703 

              C  13      N  14
              ----------------------
   C  13    0.0000 
   N  14    0.8176     0.0000 



ATOMIC CHARGES
   N   1   -0.2508777507
   N   2   -0.1677049330
   C   3    0.0395054843
   C   4    0.0794555768
   C   5    0.1216165718
   C   6    0.1273797895
   C   7    0.0244300070
   C   8    0.0201643541
   C   9    0.0020551552
   C  10    0.0020551552
   C  11    0.0211484516
   C  12    0.0892388974
   C  13    0.0195886027
   N  14   -0.1280553620


BOND ANGLES
   5    3    4  Car  Car  Car    107.952
   3    4    1  Car  Car  Nar    107.952
   9   10    7   C3   C3   C3     60.321
  10    7    6   C3   C3   C3    139.053
  11   12   13  Car  Car  Car    119.737
  12   13    8  Car  Car  Car    119.737
   4    3    5  Car  Car  Car    107.952
   3    5    2  Car  Car  Nar    115.249
   7   10    9   C3   C3   C3     60.321
  10    9    7   C3   C3   C3     59.693
  13   12   11  Car  Car  Car    119.737
  12   11    3  Car  Car  Car    120.519


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


CHIRAL ATOMS
   N     1 is chiral: counterclockwise
   C     7 is chiral: counterclockwise