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4-Benzyloxyindole
4-Benzyloxyindole ID: CHH14025
CAS:20289-26-3
Supplier:ChemiK Co.,Ltd.

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SMILES:[nH]1ccc2c(cccc12)OCc1ccccc1	
FORMULA: C15H13NO
MASS: 223.2698
EXACT MASS: 223.0997140
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8938     0.0000 
   C   3    1.4461     0.8937     0.0000 
   C   4    1.4461     1.4461     0.8937     0.0000 
   C   5    2.2916     2.3278     1.6330     0.8938     0.0000 
   C   6    2.6681     2.9573     2.4139     1.5480     0.8937     0.0000 
   C   7    2.4138     2.9573     2.6682     1.7875     1.5480     0.8938 
   C   8    1.6329     2.3277     2.2915     1.5480     1.7875     1.5480 
   C   9    0.8937     1.4461     1.4461     0.8938     1.5480     1.7875 
   O  10    2.9900     2.7955     1.9418     1.5480     0.8938     1.5480 
   C  11    3.8075     3.6795     2.8346     2.3646     1.5480     1.7875 
   C  12    4.5367     4.2815     3.3963     3.0960     2.3646     2.6812 
   C  13    4.5946     4.1714     3.2820     3.2224     2.6812     3.2224 
   C  14    5.4398     4.9587     4.0826     4.0956     3.5750     4.0956 
   C  15    6.1274     5.7192     4.8299     4.7292     4.0956     4.4687 
   C  16    6.0841     5.8000     4.9084     4.6440     3.8957     4.0956 
   C  17    5.3418     5.1430     4.2656     3.8957     3.0960     3.2224 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    1.5480     0.8937     0.0000 
   O  10    2.3646     2.6812     2.3646     0.0000 
   C  11    2.6812     3.2224     3.0960     0.8938     0.0000 
   C  12    3.5750     4.0956     3.8957     1.5480     0.8938     0.0000 
   C  13    4.0956     4.4687     4.0956     1.7875     1.5480     0.8937 
   C  14    4.9761     5.3624     4.9761     2.6812     2.3646     1.5480 
   C  15    5.3624     5.8606     5.5814     3.2224     2.6812     1.7875 
   C  16    4.9761     5.5814     5.4364     3.0960     2.3646     1.5480 
   C  17    4.0956     4.7292     4.6440     2.3646     1.5480     0.8938 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    0.8938     0.0000 
   C  15    1.5480     0.8938     0.0000 
   C  16    1.7875     1.5480     0.8937     0.0000 
   C  17    1.5480     1.7875     1.5480     0.8938     0.0000 



ATOMIC CHARGES
   N   1   -0.2437344350
   C   2    0.0989766757
   C   3    0.0251495151
   C   4    0.0531603337
   C   5    0.1404590091
   C   6    0.0370135399
   C   7    0.0046570941
   C   8    0.0192997904
   C   9    0.0842758598
   O  10   -0.4705923087
   C  11    0.2319854225
   C  12    0.0211608543
   C  13   -0.0006896248
   C  14   -0.0002074836
   C  15   -0.0000171340
   C  16   -0.0002074836
   C  17   -0.0006896248


BOND ANGLES
   2    1    9  Car  Nar  Car    107.999
   1    2    3  Nar  Car  Car    107.999
   2    3    4  Car  Car  Car    108.004
   3    4    5  Car  Car  Car    132.007
   3    4    9  Car  Car  Car    107.997
   5    4    9  Car  Car  Car    119.997
   4    5    6  Car  Car  Car    120.002
   4    5   10  Car  Car   O3    119.997
   6    5   10  Car  Car   O3    120.002
   5    6    7  Car  Car  Car    120.002
   6    7    8  Car  Car  Car    119.997
   7    8    9  Car  Car  Car    120.002
   1    9    8  Nar  Car  Car    131.998
   4    9    8  Car  Car  Car    120.002
   1    9    4  Nar  Car  Car    108.001
   5   10   11  Car   O3   C3    119.997
  10   11   12   O3   C3  Car    119.997
  11   12   13   C3  Car  Car    120.002
  11   12   17   C3  Car  Car    119.997
  13   12   17  Car  Car  Car    120.002
  12   13   14  Car  Car  Car    120.002
  13   14   15  Car  Car  Car    119.997
  14   15   16  Car  Car  Car    120.002
  15   16   17  Car  Car  Car    120.002
  12   17   16  Car  Car  Car    119.997


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