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1-(2-METHOXYPHENYL)PIPERAZINE
1-(2-METHOXYPHENYL)PIPERAZINE
ID: BP-12272
CAS:35386-24-4
Supplier:BroadPharm

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SMILES:N1(c2c(OC)cccc2)CCNCC1	
FORMULA: C11H16N2O
MASS: 192.2575
EXACT MASS: 192.1262631
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4236     0.0000 
   N   3    2.8692     4.2928     0.0000 
   C   4    2.4668     1.4160     5.1587     0.0000 
   O   5    2.8496     2.4649     4.9528     1.4368     0.0000 
   C   6    1.4175     2.4624     2.4785     2.8568     2.4744     0.0000 
   C   7    1.4245     2.4628     2.4949     3.7626     4.2740     2.4631 
   C   8    2.4729     3.7738     1.4376     4.9396     5.1429     2.8463 
   C   9    2.4683     3.7701     1.4245     4.2852     3.7779     1.4284 
   C  10    2.4779     1.4408     5.1634     2.4691     3.7825     3.7764 
   C  11    3.7902     2.4884     6.5683     1.4378     2.4781     4.2945 
   C  12    4.2825     3.7768     6.2314     2.4890     1.4329     3.7831 
   C  13    3.7908     2.4910     6.5692     2.8535     4.2903     4.9533 
   C  14    4.3058     2.8821     7.1749     2.4846     3.7927     5.1671 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4366     0.0000 
   C   9    2.8535     2.4643     0.0000 
   C  10    2.8451     4.2817     4.9462     0.0000 
   C  11    4.9512     6.2360     5.7229     2.8762     0.0000 
   C  12    5.7069     6.5418     4.9488     4.9581     2.8590     0.0000 
   C  13    4.2852     5.7218     6.2332     1.4401     2.4855     5.1596 
   C  14    5.1602     6.5639     6.5637     2.4977     1.4399     4.2989 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.4374     0.0000 



ATOMIC CHARGES
   N   1   -0.3022074383
   C   2    0.0823693929
   N   3   -0.2144423121
   C   4    0.1518856934
   O   5   -0.4701832320
   C   6    0.1096840495
   C   7    0.1096840495
   C   8    0.1101136031
   C   9    0.1101136031
   C  10    0.0176017389
   C  11    0.0381818804
   C  12    0.2525302585
   C  13    0.0014711297
   C  14    0.0031975832


BOND ANGLES
   2    1    6  Car  Npl   C3    120.152
   2    1    7  Car  Npl   C3    119.698
   6    1    7   C3  Npl   C3    120.150
   1    2    4  Npl  Car  Car    120.616
   1    2   10  Npl  Car  Car    119.784
   4    2   10  Car  Car  Car    119.600
   8    3    9   C3   N3   C3    118.861
   2    4    5  Car  Car   O3    119.539
   2    4   11  Car  Car  Car    121.368
   5    4   11   O3  Car  Car    119.093
   4    5   12  Car   O3   C3    120.299
   1    6    9  Npl   C3   C3    120.294
   1    7    8  Npl   C3   C3    119.606
   3    8    7   N3   C3   C3    120.462
   3    9    6   N3   C3   C3    120.627
   2   10   13  Car  Car  Car    119.686
   4   11   14  Car  Car  Car    119.400
  10   13   14  Car  Car  Car    120.448
  11   14   13  Car  Car  Car    119.497


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