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[1,4']Bipiperidinyl-1'-carbonyl chloride
[1,4']Bipiperidinyl-1'-carbonyl chloride ID: API-28898
CAS:103816-19-9
Supplier:APIchem

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SMILES:N1(C(=O)Cl)CCC(N2CCCCC2)CC1	ChemMol.com
FORMULA: C11H19ClN2O
MASS: 230.7344
EXACT MASS: 230.1185909
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.5318     0.0000 
   N   3    1.5908     2.1226     0.0000 
   C   4    1.0662     1.5980     0.5246     0.0000 
   C   5    0.9208     1.4080     0.9199     0.5375     0.0000 
   C   6    0.9220     1.4060     0.9167     0.5318     0.9241     0.0000 
   C   7    0.5282     0.9208     1.4033     0.9241     0.5318     1.0625 
   C   8    0.5375     0.9241     1.3998     0.9208     1.0662     0.5282 
   O   9    0.9241     0.5375     2.4365     1.9242     1.5980     1.8460 
  Cl  10    0.9250     0.5318     2.4352     1.9225     1.8458     1.5980 
   C  11    1.9182     2.4365     0.5375     0.9199     1.4125     1.0627 
   C  12    1.9145     2.4352     0.5318     0.9167     1.0627     1.4040 
   C  13    2.4352     2.9598     0.9250     1.4040     1.5944     1.8417 
   C  14    2.4365     2.9595     0.9241     1.4033     1.8440     1.5944 
   C  15    2.6606     3.1924     1.0698     1.5944     1.9212     1.9185 

              C   7      C   8      O   9     Cl  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.9220     0.0000 
   O   9    1.0662     1.4152     0.0000 
  Cl  10    1.4080     1.0698     0.9241     0.0000 
   C  11    1.8440     1.5908     2.8187     2.6606     0.0000 
   C  12    1.5944     1.8375     2.6606     2.8143     0.9241     0.0000 
   C  13    2.1262     2.3149     3.1924     3.3227     1.0698     0.5318 
   C  14    2.3176     2.1226     3.3242     3.1924     0.5318     1.0625 
   C  15    2.4396     2.4352     3.4929     3.4914     0.9250     0.9241 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.9241     0.0000 
   C  15    0.5375     0.5318     0.0000 



ATOMIC CHARGES
   N   1   -0.2667957303
   C   2    0.3099807691
   N   3   -0.2738441345
   C   4    0.0609113491
   C   5    0.0375403651
   C   6    0.0375403651
   C   7    0.0959315464
   C   8    0.0959315464
   O   9   -0.2566981991
  Cl  10   -0.0221907617
   C  11    0.0720459496
   C  12    0.0720459496
   C  13    0.0173726005
   C  14    0.0173726005
   C  15    0.0028557841


BOND ANGLES
   2    1    7   C2  Nam   C3    120.619
   2    1    8   C2  Nam   C3    119.578
   7    1    8   C3  Nam   C3    119.803
   1    2    9  Nam   C2   O2    119.578
   1    2   10  Nam   C2   Cl    120.844
   9    2   10   O2   C2   Cl    119.578
   4    3   11   C3   N3   C3    120.025
   4    3   12   C3   N3   C3    120.397
  11    3   12   C3   N3   C3    119.578
   3    4    6   N3   C3   C3    120.397
   3    4    5   N3   C3   C3    120.025
   5    4    6   C3   C3   C3    119.578
   4    5    7   C3   C3   C3    119.578
   4    6    8   C3   C3   C3    120.619
   1    7    5  Nam   C3   C3    120.619
   1    8    6  Nam   C3   C3    119.803
   3   11   14   N3   C3   C3    119.578
   3   12   13   N3   C3   C3    120.844
  12   13   15   C3   C3   C3    119.578
  11   14   15   C3   C3   C3    120.844
  13   15   14   C3   C3   C3    119.578


TORSION ANGLES
   9    2    1    7      0.026
   9    2    1    8    179.974
  10    2    1    7    179.974
  10    2    1    8      0.026
  11    3    4    6      0.026
  11    3    4    5    179.974
  12    3    4    6    179.974
  12    3    4    5      0.026
   3    4    6    8    179.974
   5    4    6    8      0.026
   4    5    7    1      0.026
   4    6    8    1      0.026
   5    7    1    2    179.974
   5    7    1    8      0.026
   6    8    1    2    179.974
   6    8    1    7      0.026
  14   11    3    4    179.974
  14   11    3   12      0.026
  13   12    3    4    179.974
  13   12    3   11      0.026
  15   13   12    3      0.026
  15   14   11    3      0.026
  14   15   13   12      0.026
   3    4    5    7    179.974
   6    4    5    7      0.026
  11   14   15   13      0.026