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4-benzylpiperidine
4-benzylpiperidine ID: CHH15530
CAS:31252-42-3
Supplier:ChemiK Co.,Ltd.

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SMILES:N1CCC(CC1)Cc1ccccc1	
FORMULA: C12H17N
MASS: 175.2701
EXACT MASS: 175.1360995
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7023     0.0000 
   C   3    1.2164     0.7023     0.0000 
   C   4    1.4045     1.2164     0.7022     0.0000 
   C   5    1.2164     1.4046     1.2164     0.7023     0.0000 
   C   6    0.7022     1.2164     1.4045     1.2164     0.7023     0.0000 
   C   7    2.1068     1.8580     1.2163     0.7022     1.2163     1.8580 
   C   8    2.5320     2.1068     1.4044     1.2163     1.8580     2.4327 
   C   9    2.4327     1.8580     1.2163     1.4044     2.1068     2.5320 
   C  10    3.0611     2.4327     1.8580     2.1068     2.8091     3.2182 
   C  11    3.6491     3.0611     2.4327     2.5320     3.2182     3.7160 
   C  12    3.7160     3.2182     2.5320     2.4327     3.0611     3.6491 
   C  13    3.2182     2.8091     2.1068     1.8580     2.4327     3.0611 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7023     0.0000 
   C   9    1.2164     0.7022     0.0000 
   C  10    1.8581     1.2164     0.7023     0.0000 
   C  11    2.1068     1.4045     1.2164     0.7023     0.0000 
   C  12    1.8581     1.2164     1.4045     1.2164     0.7022     0.0000 
   C  13    1.2164     0.7023     1.2164     1.4046     1.2164     0.7023 

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



ATOMIC CHARGES
   N   1   -0.2180505694
   C   2    0.0887070527
   C   3    0.0191850233
   C   4    0.0072155650
   C   5    0.0191850233
   C   6    0.0887070527
   C   7    0.0264355491
   C   8   -0.0221864712
   C   9   -0.0042665702
   C  10   -0.0003225307
   C  11   -0.0000200236
   C  12   -0.0003225307
   C  13   -0.0042665702


BOND ANGLES
   2    1    6   C3   N3   C3    120.004
   1    2    3   N3   C3   C3    119.992
   2    3    4   C3   C3   C3    120.004
   3    4    5   C3   C3   C3    120.004
   3    4    7   C3   C3   C3    120.008
   5    4    7   C3   C3   C3    119.988
   4    5    6   C3   C3   C3    119.992
   1    6    5   N3   C3   C3    120.004
   4    7    8   C3   C3  Car    119.988
   7    8    9   C3  Car  Car    120.004
   7    8   13   C3  Car  Car    119.992
   9    8   13  Car  Car  Car    120.004
   8    9   10  Car  Car  Car    120.004
   9   10   11  Car  Car  Car    119.992
  10   11   12  Car  Car  Car    120.004
  11   12   13  Car  Car  Car    120.004
   8   13   12  Car  Car  Car    119.992


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