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2-(1-Piperazino)phenol
2-(1-Piperazino)phenol ID: CHB83158
CAS:1011-17-2
Supplier:ChemiK Co.,Ltd.

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SMILES:c1(c(cccc1)N1CCNCC1)O	
FORMULA: C10H14N2O
MASS: 178.2310
EXACT MASS: 178.1106131
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8938     0.0000 
   C   3    1.5480     0.8938     0.0000 
   C   4    1.7875     1.5481     0.8938     0.0000 
   C   5    1.5480     1.7875     1.5480     0.8937     0.0000 
   C   6    0.8938     1.5481     1.7875     1.5480     0.8937     0.0000 
   N   7    1.5480     0.8937     1.5480     2.3647     2.6812     2.3647 
   C   8    1.7875     1.5480     2.3646     3.0961     3.2224     2.6813 
   C   9    2.6812     2.3646     3.0960     3.8958     4.0956     3.5750 
   N  10    3.2224     2.6812     3.2224     4.0957     4.4687     4.0957 
   C  11    3.0960     2.3646     2.6812     3.5750     4.0956     3.8958 
   C  12    2.3646     1.5480     1.7875     2.6813     3.2224     3.0961 
   O  13    0.8938     1.5480     2.3646     2.6813     2.3646     1.5481 

              N   7      C   8      C   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    1.5480     0.8937     0.0000 
   N  10    1.7875     1.5480     0.8938     0.0000 
   C  11    1.5480     1.7875     1.5480     0.8938     0.0000 
   C  12    0.8938     1.5480     1.7875     1.5480     0.8937     0.0000 
   O  13    1.7875     1.5480     2.3646     3.0960     3.2224     2.6812 

              O  13
              -----------
   O  13    0.0000 



ATOMIC CHARGES
   C   1    0.2088478526
   C   2    0.0873757557
   C   3    0.0177723808
   C   4    0.0014754599
   C   5    0.0033674422
   C   6    0.0433265427
   N   7   -0.3020747505
   C   8    0.1096860081
   C   9    0.1101136115
   N  10   -0.2144423121
   C  11    0.1101136115
   C  12    0.1096860081
   O  13   -0.2852476106


BOND ANGLES
   2    1    6  Car  Car  Car    120.002
   2    1   13  Car  Car   O3    119.997
   6    1   13  Car  Car   O3    120.002
   1    2    3  Car  Car  Car    119.997
   1    2    7  Car  Car  Npl    120.002
   3    2    7  Car  Car  Npl    120.002
   2    3    4  Car  Car  Car    120.002
   3    4    5  Car  Car  Car    119.996
   4    5    6  Car  Car  Car    120.008
   1    6    5  Car  Car  Car    119.996
   8    7   12   C3  Npl   C3    119.997
   2    7    8  Car  Npl   C3    120.002
   2    7   12  Car  Npl   C3    120.002
   7    8    9  Npl   C3   C3    120.002
   8    9   10   C3   C3   N3    120.002
   9   10   11   C3   N3   C3    119.997
  10   11   12   N3   C3   C3    120.002
   7   12   11  Npl   C3   C3    120.002


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