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1-Diphenylmethylazetidine
1-Diphenylmethylazetidine ID: API-28619
CAS:107128-00-7
Supplier:APIchem

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SMILES:C1CN(C1)C(c1ccccc1)c1ccccc1	ChemMol.com
FORMULA: C16H17N
MASS: 223.3129
EXACT MASS: 223.1360995
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    1.1667     0.8251     0.0000 
   C   4    0.8250     1.1668     0.8251     0.0000 
   C   5    1.9917     1.5244     0.8250     1.5244     0.0000 
   C   6    2.5081     2.2361     1.4290     1.8256     0.8250     0.0000 
   C   7    3.3073     2.9471     2.1828     2.6491     1.4290     0.8250 
   C   8    3.9120     3.6610     2.8579     3.1731     2.1827     1.4289 
   C   9    3.8758     3.7995     2.9746     3.0715     2.4750     1.6500 
   C  10    3.2209     3.2789     2.4750     2.3978     2.1827     1.4289 
   C  11    2.4512     2.4562     1.6500     1.6427     1.4289     0.8249 
   C  12    2.5081     1.8256     1.4290     2.2361     0.8250     1.4290 
   C  13    2.4512     1.6427     1.6500     2.4562     1.4289     2.1827 
   C  14    3.2209     2.3978     2.4750     3.2789     2.1827     2.8579 
   C  15    3.8758     3.0715     2.9746     3.7995     2.4750     2.9746 
   C  16    3.9120     3.1731     2.8579     3.6610     2.1827     2.4750 
   C  17    3.3073     2.6491     2.1828     2.9471     1.4290     1.6501 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8249     0.0000 
   C   9    1.4289     0.8250     0.0000 
   C  10    1.6500     1.4290     0.8250     0.0000 
   C  11    1.4289     1.6500     1.4290     0.8250     0.0000 
   C  12    1.6501     2.4750     2.9746     2.8579     2.1827     0.0000 
   C  13    2.4750     3.2999     3.7806     3.5960     2.8578     0.8249 
   C  14    2.9746     3.7806     4.3655     4.2868     3.5960     1.4289 
   C  15    2.8579     3.5960     4.2868     4.3655     3.7806     1.6500 
   C  16    2.1827     2.8578     3.5960     3.7806     3.2999     1.4289 
   C  17    1.4290     2.1827     2.8579     2.9746     2.4750     0.8250 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    0.8250     0.0000 
   C  15    1.4290     0.8250     0.0000 
   C  16    1.6500     1.4290     0.8250     0.0000 
   C  17    1.4289     1.6500     1.4289     0.8249     0.0000 



ATOMIC CHARGES
   C   1    0.0346751539
   C   2    0.0740470338
   N   3   -0.2667988452
   C   4    0.0740470338
   C   5    0.1029935235
   C   6   -0.0036306017
   C   7   -0.0026471414
   C   8   -0.0002691978
   C   9   -0.0000186698
   C  10   -0.0002691978
   C  11   -0.0026471414
   C  12   -0.0036306017
   C  13   -0.0026471414
   C  14   -0.0002691978
   C  15   -0.0000186698
   C  16   -0.0002691978
   C  17   -0.0026471414


BOND ANGLES
   2    1    4   C3   C3   C3     90.010
   1    2    3   C3   C3   N3     89.995
   2    3    4   C3   N3   C3     90.000
   2    3    5   C3   N3   C3    135.000
   4    3    5   C3   N3   C3    135.000
   1    4    3   C3   C3   N3     89.995
   3    5    6   N3   C3  Car    119.999
   3    5   12   N3   C3  Car    119.999
   6    5   12  Car   C3  Car    120.002
   5    6    7   C3  Car  Car    119.999
   5    6   11   C3  Car  Car    119.999
   7    6   11  Car  Car  Car    120.002
   6    7    8  Car  Car  Car    120.002
   7    8    9  Car  Car  Car    119.999
   8    9   10  Car  Car  Car    119.999
   9   10   11  Car  Car  Car    119.999
   6   11   10  Car  Car  Car    119.999
   5   12   13   C3  Car  Car    119.999
   5   12   17   C3  Car  Car    119.999
  13   12   17  Car  Car  Car    120.002
  12   13   14  Car  Car  Car    119.999
  13   14   15  Car  Car  Car    119.999
  14   15   16  Car  Car  Car    119.999
  15   16   17  Car  Car  Car    119.999
  12   17   16  Car  Car  Car    120.002


TORSION ANGLES
   4    1    2    3      0.026
   1    2    3    4      0.026
   1    2    3    5    179.974
   2    3    4    1      0.026
   5    3    4    1    179.974
   2    1    4    3      0.026
   2    3    5    6    179.974
   2    3    5   12      0.026
   4    3    5    6      0.026
   4    3    5   12    179.974
   3    5    6    7    179.974
   3    5    6   11      0.026
  12    5    6    7      0.026
  12    5    6   11    179.974
   5    6    7    8    179.974
  11    6    7    8      0.026
   6    7    8    9      0.026
   7    8    9   10      0.026
   8    9   10   11      0.026
   9   10   11    6      0.026
   5    6   11   10    179.974
   7    6   11   10      0.026
   3    5   12   13      0.026
   3    5   12   17    179.974
   6    5   12   13    179.974
   6    5   12   17      0.026
   5   12   13   14    179.974
  17   12   13   14      0.026
  12   13   14   15      0.026
  13   14   15   16      0.026
  14   15   16   17      0.026
  15   16   17   12      0.026
   5   12   17   16    179.974
  13   12   17   16      0.026