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LAUROLACTAM azacyclotridecan-2-one
LAUROLACTAM
azacyclotridecan-2-one ID: BBC/340
CAS:947-04-6
Supplier:Aronis

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SMILES:C1(=O)NCCCCCCCCCCC1	
FORMULA: C12H23NO
MASS: 197.3171
EXACT MASS: 197.1779644
INTERATOMIC DISTANCES

              C   1      N   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.3269     0.0000 
   O   3    1.3309     2.0946     0.0000 
   C   4    2.5750     1.3269     3.4089     0.0000 
   C   5    1.3315     2.5831     2.0881     3.6815     0.0000 
   C   6    3.6815     2.5831     4.6754     1.3315     4.5750     0.0000 
   C   7    2.5820     3.6834     3.4057     4.5663     1.3303     5.1933 
   C   8    4.5736     3.6896     5.7224     2.5867     5.2014     1.3333 
   C   9    3.6912     4.5803     4.6758     5.1976     2.5897     5.5224 
   C  10    5.5107     5.5149     6.8330     5.1920     5.1940     4.5734 
   C  11    5.5142     5.1971     6.8379     4.5717     5.5197     3.6849 
   C  12    5.1915     5.5154     6.4506     5.5122     4.5719     5.1964 
   C  13    5.1976     4.5803     6.4617     3.6912     5.5224     2.5897 
   C  14    4.5707     5.1942     5.7130     5.5095     3.6859     5.5135 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    5.5167     0.0000 
   C   9    1.3339     5.5238     0.0000 
   C  10    4.5662     3.6859     3.6808     0.0000 
   C  11    5.1942     2.5808     4.5769     1.3344     0.0000 
   C  12    3.6788     4.5755     2.5772     1.3292     2.5871     0.0000 
   C  13    5.5157     1.3349     5.2000     2.5803     1.3234     3.6845 
   C  14    2.5808     5.1942     1.3282     2.5749     3.6833     1.3233 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    4.5688     0.0000 



ATOMIC CHARGES
   C   1    0.2413651371
   N   2   -0.2054261489
   O   3   -0.2733431518
   C   4    0.1151417220
   C   5    0.0868232265
   C   6    0.0234292864
   C   7    0.0096151310
   C   8    0.0018202939
   C   9    0.0005033364
   C  10    0.0000000034
   C  11    0.0000007243
   C  12    0.0000001410
   C  13    0.0000576149
   C  14    0.0000126838


BOND ANGLES
   2    1    3  Nam   C2   O2    104.018
   2    1    5  Nam   C2   C3    152.669
   3    1    5   O2   C2   C3    103.313
   1    2    4   C2  Nam   C3    152.018
   2    4    6  Nam   C3   C3    152.669
   1    5    7   C2   C3   C3    151.859
   4    6    8   C3   C3   C3    152.193
   5    7    9   C3   C3   C3    152.825
   6    8   13   C3   C3   C3    152.137
   7    9   14   C3   C3   C3    151.602
  11   10   12   C3   C3   C3    152.473
  10   11   13   C3   C3   C3    152.269
  10   12   14   C3   C3   C3    152.223
   8   13   11   C3   C3   C3    152.250
   9   14   12   C3   C3   C3    152.813


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