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1-(1H-indol-3-yl)-2-propanamine

1-(1H-indol-3-yl)-2-propanamine ID: BBC/485
CAS:299-26-3
Supplier:Aronis

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SMILES:[nH]1c2c(c(CC(N)C)c1)cccc2	9287
FORMULA: C11H14N2
MASS: 174.2423
EXACT MASS: 174.1156985
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    4.0464     0.0000 
   C   3    2.5788     1.7320     0.0000 
   C   4    1.6094     2.6458     1.0001     0.0000 
   C   5    3.0518     1.0000     1.0000     1.7320     0.0000 
   C   6    1.6117     3.5071     1.7763     0.9941     2.6707     0.0000 
   C   7    0.9941     4.2572     2.5818     1.6117     3.3250     1.0000 
   C   8    0.9940     3.0842     1.7764     0.9940     2.0845     1.6094 
   C   9    2.8139     1.7320     1.7321     2.0000     1.0000     2.9905 
   C  10    2.5576     3.9113     2.2533     1.8228     3.2470     1.0001 
   C  11    1.8228     5.1910     3.4783     2.5576     4.2883     1.7321 
   C  12    2.9792     4.9112     3.2418     2.6956     4.2280     1.7321 
   C  13    2.6956     5.4721     3.7443     2.9792     4.6690     2.0000 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.6094     0.0000 
   C   9    3.3730     1.8352     0.0000 
   C  10    1.7321     2.5962     3.7756     0.0000 
   C  11    1.0001     2.5962     4.3731     2.0000     0.0000 
   C  12    2.0000     3.3000     4.6905     1.0000     1.7320     0.0000 
   C  13    1.7321     3.3000     4.9432     1.7320     1.0000     1.0000 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2441761894
   N   2   -0.1325587761
   C   3    0.0469666468
   C   4   -0.0001669731
   C   5    0.0962568509
   C   6    0.0152210800
   C   7    0.0810384698
   C   8    0.0946118554
   C   9    0.0208552087
   C  10    0.0012313985
   C  11    0.0190875565
   C  12    0.0000885101
   C  13    0.0015443618


BOND ANGLES
   7    1    8  Car  Nar  Car    108.101
   4    3    5  Car   C3   C3    119.994
   3    4    6   C3  Car  Car    125.944
   3    4    8   C3  Car  Car    125.955
   6    4    8  Car  Car  Car    108.101
   2    5    3   N3   C3   C3    120.001
   2    5    9   N3   C3   C3    119.995
   3    5    9   C3   C3   C3    120.003
   4    6    7  Car  Car  Car    107.850
   4    6   10  Car  Car  Car    132.152
   7    6   10  Car  Car  Car    119.998
   1    7    6  Nar  Car  Car    107.850
   1    7   11  Nar  Car  Car    132.152
   6    7   11  Car  Car  Car    119.998
   1    8    4  Nar  Car  Car    108.098
   6   10   12  Car  Car  Car    120.001
   7   11   13  Car  Car  Car    120.001
  10   12   13  Car  Car  Car    120.001
  11   13   12  Car  Car  Car    120.001


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


CHIRAL ATOMS
  10   12   13   11      0.026