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2-[1-(2-furylmethyl)-2-piperazinyl]ethanol

2-[1-(2-furylmethyl)-2-piperazinyl]ethanol ID: BBC/510
CAS:815655-78-8
Supplier:Aronis

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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
   2    1    6   C3   C3   N3    120.338
   1    2    3   C3   C3   N3    119.832
   2    3   10   C3   N3   C3    119.832
   2    3    4   C3   N3   C3    120.335
   4    3   10   C3   N3   C3    119.832
   3    4    5   N3   C3   C3    119.832
   3    4    7   N3   C3   C3    120.088
   5    4    7   C3   C3   C3    120.080
   4    5    6   C3   C3   N3    120.338
   1    6    5   C3   N3   C3    119.323
   4    7    8   C3   C3   C3    119.525
   7    8    9   C3   C3   O3    119.998
   3   10   11   N3   C3  Car    120.198
  10   11   12   C3  Car  Car    126.323
  10   11   15   C3  Car   O2    126.100
  12   11   15  Car  Car   O2    107.576
  11   12   13  Car  Car  Car    108.324
  12   13   14  Car  Car  Car    107.995
  13   14   15  Car  Car   O2    107.994
  11   15   14  Car   O2  Car    108.110


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
  14   15   11   12      0.026