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2,3,4,9-tetrahydro-1H-carbazol-1-one

2,3,4,9-tetrahydro-1H-carbazol-1-one ID: BBC/521
CAS:3456-99-3
Supplier:Aronis

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SMILES:O=C1c2[nH]c3c(c2CCC1)cccc3	
FORMULA: C12H11NO
MASS: 185.2218
EXACT MASS: 185.0840640
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.2053     0.0000 
   C   3    2.6838     1.6181     0.0000 
   C   4    3.0693     2.6083     1.0416     0.0000 
   C   5    2.7152     3.0556     1.8000     1.0416     0.0000 
   C   6    1.7702     1.0000     1.0000     1.7760     2.0693     0.0000 
   C   7    1.7701     2.7661     2.0693     1.8002     1.0417     1.8001 
   C   8    3.3834     1.6181     1.0000     1.8587     2.7660     1.6180 
   C   9    0.9999     1.8587     1.7761     2.0694     1.8002     1.0416 
   C  10    3.1626     1.0001     1.6181     2.6437     3.3792     1.6181 
   C  11    4.4137     2.6083     1.8588     2.3699     3.3968     2.6437 
   C  12    4.0607     1.8588     2.6084     3.5958     4.3972     2.6437 
   C  13    5.1084     3.0557     2.7661     3.3968     4.4109     3.3792 
   C  14    4.9588     2.7661     3.0557     3.9012     4.8354     3.3792 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0556     0.0000 
   C   9    1.0416     2.6083     0.0000 
   C  10    3.3792     1.0001     2.6437     0.0000 
   C  11    3.9012     1.0416     3.5958     1.7760     0.0000 
   C  12    4.4192     1.7762     3.6489     1.0416     2.0694     0.0000 
   C  13    4.8354     1.8001     4.3972     2.0693     1.0416     1.8002 
   C  14    5.0547     2.0694     4.4192     1.8001     1.8002     1.0416 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.0417     0.0000 



ATOMIC CHARGES
   O   1   -0.2897476675
   N   2   -0.2428007745
   C   3   -0.0002619022
   C   4    0.0284802442
   C   5    0.0128982860
   C   6    0.1118694147
   C   7    0.0711076741
   C   8    0.0152187301
   C   9    0.1901957393
   C  10    0.0810878244
   C  11    0.0012313634
   C  12    0.0190881935
   C  13    0.0000885099
   C  14    0.0015443644


BOND ANGLES
   6    2   10  Car  Nar  Car    108.001
   4    3    6   C3  Car  Car    120.887
   4    3    8   C3  Car  Car    131.115
   6    3    8  Car  Car  Car    107.998
   3    4    5  Car   C3   C3    119.557
   4    5    7   C3   C3   C3    119.558
   2    6    3  Nar  Car  Car    108.003
   2    6    9  Nar  Car   C2    131.113
   3    6    9  Car  Car   C2    120.884
   5    7    9   C3   C3   C2    119.560
   3    8   10  Car  Car  Car    108.004
   3    8   11  Car  Car  Car    131.119
  10    8   11  Car  Car  Car    120.877
   1    9    6   O2   C2  Car    120.225
   1    9    7   O2   C2   C3    120.222
   6    9    7  Car   C2   C3    119.554
   2   10    8  Nar  Car  Car    107.994
   2   10   12  Nar  Car  Car    131.116
   8   10   12  Car  Car  Car    120.890
   8   11   13  Car  Car  Car    119.561
  10   12   14  Car  Car  Car    119.554
  11   13   14  Car  Car  Car    119.558
  12   14   13  Car  Car  Car    119.560


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