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9-ethylcarbazole
9-ethylcarbazole ID: AN-42338
CAS:86-28-2
Supplier:AN PharmaTech Co Ltd

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SMILES:n1(c2c(c3c1cccc3)cccc2)CC	6836
FORMULA: C14H13N
MASS: 195.2597
EXACT MASS: 195.1047994
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    1.0001     1.6181     0.0000 
   C   4    1.6181     1.0000     1.6181     0.0000 
   C   5    1.6181     1.6180     1.0001     1.0000     0.0000 
   C   6    1.0000     1.7820     1.7821     2.5877     2.5877     0.0000 
   C   7    1.8587     1.0416     2.6437     1.7761     2.6083     2.2728 
   C   8    1.8588     2.6437     1.0416     2.6084     1.7762     2.2729 
   C   9    2.6083     1.7760     2.6437     1.0416     1.8587     3.5285 
   C  10    2.6083     2.6437     1.7760     1.8588     1.0416     3.5285 
   C  11    1.7320     2.0886     2.6767     3.0609     3.3318     1.0000 
   C  12    2.7661     1.8001     3.3792     2.0693     3.0556     3.3014 
   C  13    2.7661     3.3792     1.8001     3.0557     2.0694     3.3015 
   C  14    3.0557     3.3792     2.0693     2.7661     1.8001     3.8167 
   C  15    3.0556     2.0693     3.3792     1.8000     2.7660     3.8166 
   H  16    1.5967     2.3986     2.2510     3.2017     3.1347     0.6200 
   H  17    1.0812     2.0508     1.4934     2.6729     2.4337     0.6200 
   H  18    2.0229     1.4558     2.9362     2.3300     3.0736     2.1494 
   H  19    2.0230     2.9362     1.4558     3.0737     2.3300     2.1494 
   H  20    3.0736     2.3300     2.9362     1.4558     2.0230     4.0335 
   H  21    3.0736     2.9362     2.3300     2.0230     1.4558     4.0335 
   H  22    1.5200     1.5936     2.5190     2.5916     3.0114     1.1766 
   H  23    2.2900     2.4703     3.2623     3.4685     3.8518     1.6199 
   H  24    2.1114     2.6369     2.9585     3.5762     3.7285     1.1766 
   H  25    3.2869     2.3594     3.9632     2.6893     3.6741     3.7134 
   H  26    3.2870     3.9632     2.3594     3.6742     2.6894     3.7135 
   H  27    3.6740     2.6892     3.9631     2.3593     3.2868     4.4332 
   H  28    3.6741     3.9631     2.6892     3.2869     2.3594     4.4332 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.6489     0.0000 
   C   9    2.0694     3.5958     0.0000 
   C  10    3.5958     2.0694     2.3699     0.0000 
   C  11    2.0884     3.2683     3.8369     4.3390     0.0000 
   C  12    1.0416     4.4192     1.8002     3.9012     3.1059     0.0000 
   C  13    4.4192     1.0416     3.9012     1.8002     4.2897     5.0547 
   C  14    4.3972     1.8002     3.3968     1.0416     4.7436     4.8354 
   C  15    1.8002     4.3972     1.0416     3.3968     3.8551     1.0417 
   H  16    2.8113     2.5211     4.1485     4.0255     1.0813     3.8511 
   H  17    2.7361     1.7408     3.6832     3.2668     1.5968     3.7300 
   H  18    0.6200     3.8790     2.6893     4.0933     1.7040     1.4558 
   H  19    3.8790     0.6200     4.0933     2.6893     3.1407     4.7361 
   H  20    2.6894     3.7990     0.6200     2.2495     4.4126     2.3594 
   H  21    3.7990     2.6894     2.2495     0.6200     4.7842     3.9421 
   H  22    1.4693     3.2774     3.2866     4.0467     0.6201     2.4864 
   H  23    2.2061     3.8866     4.1393     4.8769     0.6200     3.1423 
   H  24    2.7078     3.3750     4.4056     4.6952     0.6200     3.7254 
   H  25    1.4559     4.9986     2.3594     4.5187     3.3698     0.6200 
   H  26    4.9986     1.4559     4.5187     2.3594     4.7128     5.6622 
   H  27    2.3594     4.9675     1.4559     3.8119     4.4379     1.4559 
   H  28    4.9675     2.3594     3.8119     1.4559     5.3634     5.3471 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0417     0.0000 
   C  15    4.8354     4.4109     0.0000 
   H  16    3.5619     4.2006     4.4177     0.0000 
   H  17    2.7822     3.4040     4.1198     0.7971     0.0000 
   H  18    4.7361     4.8261     2.3594     2.5974     2.7006     0.0000 
   H  19    1.4558     2.3594     4.8261     2.2455     1.5448     4.0183 
   H  20    3.9421     3.2898     1.4558     4.6507     4.1250     3.3093 
   H  21    2.3594     1.4558     3.2898     4.5599     3.8218     4.3451 
   H  22    4.2511     4.5725     3.2455     1.5201     1.7880     1.1055 
   H  23    4.9048     5.3315     4.0061     1.6309     2.2128     1.6864 
   H  24    4.4159     4.9863     4.4674     0.8924     1.6343     2.3138 
   H  25    5.6622     5.4554     1.4559     4.2220     4.1918     1.6658 
   H  26    0.6200     1.4559     5.4554     3.8946     3.1494     5.2874 
   H  27    5.3471     4.8461     0.6200     5.0315     4.7397     2.8787 
   H  28    1.4559     0.6200     4.8461     4.8057     4.0087     5.4158 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    4.3451     0.0000 
   H  21    3.3093     1.9731     0.0000 
   H  22    3.2670     3.8786     4.4367     0.0000 
   H  23    3.7575     4.7393     5.2913     0.8769     0.0000 
   H  24    3.1341     4.9666     5.1828     1.2400     0.8768     0.0000 
   H  25    5.2874     2.8788     4.5445     2.7671     3.2941     3.9778 
   H  26    1.6658     4.5445     2.8788     4.7325     5.3324     4.7741 
   H  27    5.4158     1.6658     3.6205     3.8228     4.5525     5.0541 
   H  28    2.8787     3.6205     1.6658     5.1896     5.9515     5.6007 

              H  25      H  26      H  27      H  28
              --------------------------------------------
   H  25    0.0000 
   H  26    6.2667     0.0000 
   H  27    1.6657     5.9661     0.0000 
   H  28    5.9661     1.6657     5.2371     0.0000 



ATOMIC CHARGES
   N   1   -0.3400484939
   C   2    0.0500771990
   C   3    0.0500771990
   C   4    0.0075933675
   C   5    0.0075933675
   C   6    0.0210242669
   C   7   -0.0375724432
   C   8   -0.0375724432
   C   9   -0.0519964075
   C  10   -0.0519964075
   C  11   -0.0470760697
   C  12   -0.0597775036
   C  13   -0.0597775036
   C  14   -0.0610565149
   C  15   -0.0610565149
   H  16    0.0489083156
   H  17    0.0489083156
   H  18    0.0638273090
   H  19    0.0638273090
   H  20    0.0624269617
   H  21    0.0624269617
   H  22    0.0246801154
   H  23    0.0246801154
   H  24    0.0246801154
   H  25    0.0618220336
   H  26    0.0618220336
   H  27    0.0617776581
   H  28    0.0617776581


BOND ANGLES
   2    1    3  Car  Nar  Car    108.001
   2    1    6  Car  Nar   C3    126.001
   3    1    6  Car  Nar   C3    125.998
   1    2    4  Nar  Car  Car    108.003
   1    2    7  Nar  Car  Car    131.113
   4    2    7  Car  Car  Car    120.884
   1    3    5  Nar  Car  Car    107.994
   1    3    8  Nar  Car  Car    131.116
   5    3    8  Car  Car  Car    120.890
   2    4    5  Car  Car  Car    107.998
   2    4    9  Car  Car  Car    120.887
   5    4    9  Car  Car  Car    131.115
   3    5    4  Car  Car  Car    108.004
   3    5   10  Car  Car  Car    120.877
   4    5   10  Car  Car  Car    131.119
   1    6   11  Nar   C3   C3    120.001
   1    6   16  Nar   C3   HC    159.996
   1    6   17  Nar   C3   HC     79.997
  11    6   16   C3   C3   HC     80.004
  11    6   17   C3   C3   HC    160.002
  16    6   17   HC   C3   HC     79.999
   2    7   12  Car  Car  Car    119.554
   2    7   18  Car  Car   HC    120.219
  12    7   18  Car  Car   HC    120.227
   3    8   13  Car  Car  Car    119.554
   3    8   19  Car  Car   HC    120.219
  13    8   19  Car  Car   HC    120.227
   4    9   15  Car  Car  Car    119.557
   4    9   20  Car  Car   HC    120.222
  15    9   20  Car  Car   HC    120.221
   5   10   14  Car  Car  Car    119.561
   5   10   21  Car  Car   HC    120.218
  14   10   21  Car  Car   HC    120.221
   6   11   22   C3   C3   HC     89.996
   6   11   23   C3   C3   HC    179.974
   6   11   24   C3   C3   HC     89.999
  22   11   23   HC   C3   HC     90.005
  22   11   24   HC   C3   HC    179.974
  23   11   24   HC   C3   HC     90.000
   7   12   15  Car  Car  Car    119.560
   7   12   25  Car  Car   HC    120.224
  15   12   25  Car  Car   HC    120.216
   8   13   14  Car  Car  Car    119.560
   8   13   26  Car  Car   HC    120.224
  14   13   26  Car  Car   HC    120.216
  10   14   13  Car  Car  Car    119.558
  10   14   28  Car  Car   HC    120.225
  13   14   28  Car  Car   HC    120.217
   9   15   12  Car  Car  Car    119.558
   9   15   27  Car  Car   HC    120.225
  12   15   27  Car  Car   HC    120.217


TORSION ANGLES
   3    1    2    4      0.026
   3    1    2    7    179.974
   6    1    2    4    179.974
   6    1    2    7      0.026
   2    1    3    5      0.026
   2    1    3    8    179.974
   6    1    3    5    179.974
   6    1    3    8      0.026
   2    1    6   11      0.026
   2    1    6   16    179.974
   2    1    6   17    179.974
   3    1    6   11    179.974
   3    1    6   16      0.026
   3    1    6   17      0.026
   1    2    4    5      0.026
   1    2    4    9    179.974
   7    2    4    5    179.974
   7    2    4    9      0.026
   1    2    7   12    179.974
   1    2    7   18      0.026
   4    2    7   12      0.026
   4    2    7   18    179.974
   1    3    5    4      0.026
   1    3    5   10    179.974
   8    3    5    4    179.974
   8    3    5   10      0.026
   1    3    8   13    179.974
   1    3    8   19      0.026
   5    3    8   13      0.026
   5    3    8   19    179.974
   2    4    5    3      0.026
   2    4    5   10    179.974
   9    4    5    3    179.974
   9    4    5   10      0.026
   2    4    9   15      0.026
   2    4    9   20    179.974
   5    4    9   15    179.974
   5    4    9   20      0.026
   3    5   10   14      0.026
   3    5   10   21    179.974
   4    5   10   14    179.974
   4    5   10   21      0.026
   1    6   11   22      0.026
   1    6   11   23    179.974
   1    6   11   24    179.974
  16    6   11   22    179.974
  16    6   11   23      0.026
  16    6   11   24      0.026
  17    6   11   22    179.974
  17    6   11   23      0.026
  17    6   11   24      0.026
   2    7   12   15      0.026
   2    7   12   25    179.974
  18    7   12   15    179.974
  18    7   12   25      0.026
   3    8   13   14      0.026
   3    8   13   26    179.974
  19    8   13   14    179.974
  19    8   13   26      0.026
   4    9   15   12      0.026
   4    9   15   27    179.974
  20    9   15   12    179.974
  20    9   15   27      0.026
   5   10   14   13      0.026
   5   10   14   28    179.974
  21   10   14   13    179.974
  21   10   14   28      0.026
   7   12   15    9      0.026
   7   12   15   27    179.974
  25   12   15    9    179.974
  25   12   15   27      0.026
   8   13   14   10      0.026
   8   13   14   28    179.974
  26   13   14   10    179.974
  26   13   14   28      0.026