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1-(1-Methyl-3-piperidinyl)-ethanone
1-(1-Methyl-3-piperidinyl)-ethanone ID: 6716
CAS:91324-25-3
Supplier:SYNCHEM OHG

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SMILES:C1CN(CC(C1)C(=O)C)C	
FORMULA: C8H15NO
MASS: 141.2108
EXACT MASS: 141.1153641
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   N   3    1.4241     0.8209     0.0000 
   C   4    1.6458     1.4241     0.8208     0.0000 
   C   5    1.4241     1.6458     1.4241     0.8250     0.0000 
   C   6    0.8251     1.4314     1.6500     1.4314     0.8250     0.0000 
   C   7    2.1780     1.4241     0.8250     1.4241     2.1780     2.4750 
   C   8    2.1787     2.4707     2.1771     1.4277     0.8249     1.4276 
   C   9    2.8530     2.9687     2.4686     1.6479     1.4289     2.1819 
   O  10    2.4729     2.9722     2.8530     2.1820     1.4289     1.6479 

              C   7      C   8      C   9      O  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.8518     0.0000 
   C   9    2.9669     0.8250     0.0000 
   O  10    3.5908     0.8250     1.4289     0.0000 



ATOMIC CHARGES
   C   1    0.0178052993
   C   2    0.0721569244
   N   3   -0.2711254648
   C   4    0.0794616381
   C   5    0.0736036268
   C   6    0.0101573696
   C   7    0.0896451491
   C   8    0.1520285837
   C   9    0.0722788756
   O  10   -0.2960120019


BOND ANGLES
   7    3    4   C3   N3   C3    119.832
   3    4    5   N3   C3   C3    119.832
   8    5    6   C2   C3   C3    119.827
   4    3    7   C3   N3   C3    119.832
   6    1    2   C3   C3   C3    120.335
   1    2    3   C3   C3   N3    119.829
   6    5    8   C3   C3   C2    119.827
   5    8    9   C3   C2   C3    119.999
   5    8   10   C3   C2   O2    120.008
   2    1    6   C3   C3   C3    120.335
  10    8    9   O2   C2   C3    119.993
   9    8   10   C3   C2   O2    119.993


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


CHIRAL ATOMS
   N     3 is chiral: counterclockwise
   C     5 is chiral: counterclockwise