SMILES:C1CN(C(CN1)CCO)Cc1ccco1	

FORMULA: C11H18N2O2
MASS: 210.2728
EXACT MASS: 210.1368278
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   N   3    1.4241     0.8208     0.0000 
   C   4    1.6457     1.4240     0.8208     0.0000 
   C   5    1.4240     1.6457     1.4241     0.8250     0.0000 
   N   6    0.8250     1.4314     1.6500     1.4314     0.8250     0.0000 
   C   7    2.4707     2.1775     1.4259     0.8250     1.4295     2.1847 
   C   8    2.9658     2.8500     2.1774     1.4260     1.6454     2.4703 
   O   9    3.7729     3.5900     2.8553     2.1809     2.4704     3.2953 
   C  10    2.1780     1.4241     0.8250     1.4241     2.1780     2.4750 
   C  11    2.8502     2.1742     1.4261     1.6458     2.4708     2.9732 
   C  12    3.6158     2.8866     2.2019     2.4626     3.2873     3.7876 
   C  13    4.1598     3.5037     2.7403     2.7795     3.5711     4.1926 
   C  14    3.8700     3.3346     2.5187     2.3225     3.0417     3.7515 
   O  15    3.0513     2.5419     1.7215     1.5142     2.2676     2.9455 

              C   7      C   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8256     0.0000 
   O   9    1.4294     0.8250     0.0000 
   C  10    1.6448     2.4703     2.9735     0.0000 
   C  11    1.4258     2.1829     2.4801     0.8201     0.0000 
   C  12    2.1423     2.8068     2.9110     1.4635     0.8201     0.0000 
   C  13    2.2277     2.6934     2.5610     2.1252     1.3297     0.8201 
   C  14    1.6211     1.9340     1.7410     2.1263     1.3313     1.3270 
   O  15    0.9017     1.4810     1.6633     1.4659     0.8244     1.3269 

              C  13      C  14      O  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.8202     0.0000 
   O  15    1.3269     0.8200     0.0000 



ATOMIC CHARGES
   C   1    0.1060405676
   C   2    0.0914499081
   N   3   -0.2648920527
   C   4    0.0779266320
   C   5    0.1046986684
   N   6   -0.2151628794
   C   7    0.0529572146
   C   8    0.1835406430
   O   9   -0.2203754811
   C  10    0.1376586246
   C  11    0.1391571164
   C  12    0.0376169234
   C  13    0.0434775707
   C  14    0.1791884718
   O  15   -0.4532819275


BOND ANGLES
   6    1    2   N3   C3   C3    120.338
   1    2    3   C3   C3   N3    119.832
   2    1    6   C3   C3   N3    120.338
   4    3   10   C3   N3   C3    119.832
   3   10   11   N3   C3  Car    120.198
  10    3    4   C3   N3   C3    119.832
   3    4    5   N3   C3   C3    119.832
   3    4    7   N3   C3   C3    120.088
   7    4    5   C3   C3   C3    120.080
   4    5    6   C3   C3   N3    120.338
   5    4    7   C3   C3   C3    120.080
   4    7    8   C3   C3   C3    119.525


TORSION ANGLES
   6    1    2    3      0.026
   4    7    8    9    179.974
   2    1    6    5      0.026
   1    2    3   10    179.974
   1    2    3    4      0.026
   2    3   10   11    179.974
   4    3   10   11      0.026
   2    3    4    5      0.026
   2    3    4    7    179.974
  10    3    4    5    179.974
  10    3    4    7      0.026
   3   10   11   12    179.974
   3   10   11   15      0.026
  10   11   12   13    179.974
  15   11   12   13      0.026
   3    4    5    6      0.026
   7    4    5    6    179.974
   4    5    6    1      0.026
   3    4    7    8    179.974
   5    4    7    8      0.026
  11   12   13   14      0.026
  12   13   14   15      0.026
  13   14   15   11      0.026
  14   15   11   10    179.974
  14   15   11   12      0.026


CHIRAL ATOMS
   N     3 is chiral: counterclockwise
   C     4 is chiral: counterclockwise