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4-Phenoxy-piperidine 1HCl salt
4-Phenoxy-piperidine 1HCl salt ID: B204097
CAS:3202-33-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1CCC(Oc2ccccc2)CC1	
FORMULA: C11H15NO
MASS: 177.2429
EXACT MASS: 177.1153641
INTERATOMIC DISTANCES

              N   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   O   2    1.3084     0.0000 
   C   3    0.8709     0.4375     0.0000 
   C   4    1.6078     0.4564     0.7887     0.0000 
   C   5    0.7561     0.7561     0.4367     0.9083     0.0000 
   C   6    0.7541     0.7541     0.4331     1.1805     0.7541     0.0000 
   C   7    0.4352     1.1503     0.7504     1.5390     0.8697     0.4333 
   C   8    0.4388     1.1517     0.7525     1.3416     0.4333     0.8697 
   C   9    1.5428     0.7550     0.8912     0.4331     0.7868     1.3241 
   C  10    2.0316     0.7851     1.1872     0.4334     1.3417     1.5391 
   C  11    2.3415     1.1805     1.5427     0.7541     1.6069     1.9278 
   C  12    1.9278     1.1573     1.3241     0.7500     1.1779     1.7571 
   C  13    2.2931     1.3219     1.5939     0.8662     1.5371     2.0156 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7541     0.0000 
   C   9    1.5939     1.1859     0.0000 
   C  10    1.9285     1.7750     0.7504     0.0000 
   C  11    2.2931     2.0307     0.8708     0.4352     0.0000 
   C  12    2.0155     1.5370     0.4331     0.8662     0.7541     0.0000 
   C  13    2.3266     1.9269     0.7504     0.7500     0.4352     0.4334 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2177990600
   O   2   -0.4790750108
   C   3    0.1687806987
   C   4    0.1383752300
   C   5    0.0623413541
   C   6    0.0623413541
   C   7    0.0924093139
   C   8    0.0924093139
   C   9    0.0368953772
   C  10    0.0368953772
   C  11    0.0031122432
   C  12    0.0031122432
   C  13    0.0002015651


BOND ANGLES
   7    1    8   C3   N3   C3    119.270
   3    2    4   C3   O3  Car    123.833
   2    3    5   O3   C3   C3    119.753
   2    3    6   O3   C3   C3    120.022
   5    3    6   C3   C3   C3    120.225
   2    4    9   O3  Car  Car    116.156
   2    4   10   O3  Car  Car    123.833
   9    4   10  Car  Car  Car    120.011
   3    5    8   C3   C3   C3    119.753
   3    6    7   C3   C3   C3    120.022
   1    7    6   N3   C3   C3    120.501
   1    8    5   N3   C3   C3    120.229
   4    9   12  Car  Car  Car    119.979
   4   10   11  Car  Car  Car    120.490
  10   11   13  Car  Car  Car    119.021
   9   12   13  Car  Car  Car    120.011
  11   13   12  Car  Car  Car    120.490


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