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2-Methylbenzo[c,d]indole
2-Methylbenzo[c,d]indole ID: CHH14027
CAS:40484-49-9
Supplier:ChemiK Co.,Ltd.

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SMILES:N1=C2C3(C(=C1)C=CC=C3)C=C(C=C2)C	
FORMULA: C13H11N
MASS: 181.2331
EXACT MASS: 181.0891494
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    1.4462     0.8938     0.0000 
   C   4    1.4462     1.4461     0.8937     0.0000 
   C   5    2.2917     2.3277     1.6329     0.8938     0.0000 
   C   6    2.6682     2.9573     2.4139     1.5480     0.8938     0.0000 
   C   7    2.4139     2.9573     2.6682     1.7875     1.5481     0.8938 
   C   8    1.6329     2.3277     2.2916     1.5480     1.7875     1.5480 
   C   9    0.8937     1.4461     1.4462     0.8938     1.5481     1.7875 
   C  10    2.3278     2.2916     1.5480     0.8937     0.1868     1.0671 
   C  11    2.9573     2.6682     1.7875     1.5480     1.0671     1.8197 
   C  12    2.9574     2.4139     1.5480     1.7875     1.7339     2.5965 
   C  13    2.3278     1.6330     0.8937     1.5480     1.9417     2.8283 
   C  14    3.5603     3.8038     3.1766     2.3646     1.5480     0.8938 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8937     0.0000 
   C   9    1.5480     0.8937     0.0000 
   C  10    1.7339     1.9417     1.6330     0.0000 
   C  11    2.5965     2.8283     2.4139     0.8937     0.0000 
   C  12    3.2659     3.2946     2.6682     1.5480     0.8937     0.0000 
   C  13    3.2947     3.0790     2.2916     1.7875     1.5480     0.8937 
   C  14    1.5481     2.3646     2.6813     1.6647     2.1095     2.9916 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    3.4307     0.0000 



ATOMIC CHARGES
   N   1   -0.2475175740
   C   2    0.0951366375
   C   3    0.0090954183
   C   4    0.0922013186
   C   5   -0.0172382997
   C   6   -0.0251123460
   C   7   -0.0033058626
   C   8    0.0152970239
   C   9    0.0696444487
   C  10   -0.0130013193
   C  11   -0.0035966437
   C  12   -0.0005445462
   C  13   -0.0017772107
   C  14    0.0307189552


BOND ANGLES
   2    1    9   C2   N2   C2    107.996
   1    2    3   N2   C2   C2    108.007
   2    3    4   C2   C2   C3    107.996
   2    3   13   C2   C2   C2    132.004
   4    3   13   C3   C2   C2    120.000
   3    4    5   C2   C3   C2    131.997
   3    4    9   C2   C3   C2    108.001
   3    4   10   C2   C3   C2    120.001
   5    4    9   C2   C3   C2    120.002
   5    4   10   C2   C3   C2     11.996
   9    4   10   C2   C3   C2    131.998
   4    5    6   C3   C2   C2    119.997
   5    6    7   C2   C2   C2    120.002
   5    6   14   C2   C2   C3    119.997
   7    6   14   C2   C2   C3    120.002
   6    7    8   C2   C2   C2    119.996
   7    8    9   C2   C2   C2    120.008
   1    9    8   N2   C2   C2    132.003
   4    9    8   C3   C2   C2    119.996
   1    9    4   N2   C2   C3    108.001
   4   10   11   C3   C2   C2    119.999
  10   11   12   C2   C2   C2    120.000
  11   12   13   C2   C2   C2    120.001
   3   13   12   C2   C2   C2    119.999


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


CHIRAL ATOMS
   9    4   10   11    179.974