Sign In Join Free

Products Information

8-methyl-5,6-dihydro-4H-pyrazino[3,2,1-jk]carbazole hydrochloride

8-methyl-5,6-dihydro-4H-pyrazino[3,2,1-jk]carbazole hydrochloride ID: BBC/442
CAS:15932-34-0; 32957-97-4
Supplier:Aronis

Get a quote


SMILES:n12c3c(c4c1ccc(c4)C)CCCc3ncc2.Cl	
FORMULA: C15H15ClN2
MASS: 258.7460
EXACT MASS: 258.0923762
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.3142     0.0000 
   C   3    2.1257     1.3079     0.0000 
   C   4    2.1144     2.1150     1.3169     0.0000 
   C   5    1.3125     2.1295     2.1383     1.3140     0.0000 
   C   6    2.5238     1.4359     2.3593     3.4698     3.5495     0.0000 
   N   7    2.7803     2.2607     3.4773     4.3607     4.0481     1.3501 
   C   8    1.0008     2.0017     3.0611     3.1027     2.1219     2.7876 
   C   9    2.4032     3.4221     3.3717     2.2675     1.3077     4.8221 
   C  10    2.3201     2.5294     3.8325     4.3314     3.6154     2.3833 
   C  11    3.3638     3.4139     2.4007     1.3184     2.2793     4.7141 
   C  12    3.4973     2.3792     1.4554     2.5512     3.5791     2.6940 
   C  13    3.5537     4.3500     3.9300     2.6300     2.2787     5.7855 
   C  14    3.9215     4.3466     3.5573     2.2838     2.6298     5.7414 
  Cl  15    5.3008     4.4645     5.3753     6.5294     6.4983     3.0597 
   C  16    3.6976     2.4206     2.7237     4.0272     4.4890     1.3766 
   C  17    3.9817     2.6811     2.3586     3.6401     4.4354     2.2471 
   C  18    5.2312     5.5856     4.6706     3.4794     3.9427     6.9461 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    2.5355     0.0000 
   C   9    5.1781     2.8908     0.0000 
   C  10    1.3843     1.6176     4.5040     0.0000 
   C  11    5.6701     4.3176     2.6213     5.6322     0.0000 
   C  12    4.0310     4.3515     4.7664     4.7790     3.1959     0.0000 
   C  13    6.3216     4.1671     1.3147     5.7654     2.2760     5.1475 
   C  14    6.5285     4.7408     2.2652     6.2392     1.3231     4.5031 
  Cl  15    2.5876     5.1215     7.7010     3.7737     7.7613     5.2724 
   C  16    2.4986     4.1193     5.7965     3.7196     5.0840     2.2610 
   C  17    3.5503     4.6391     5.7103     4.6104     4.4586     1.3072 
   C  18    7.8009     6.0524     3.4703     7.5502     2.2758     5.3941 

              C  13      C  14     Cl  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.3032     0.0000 
  Cl  15    8.7719     8.7991     0.0000 
   C  16    6.5795     6.2802     3.0293     0.0000 
   C  17    6.2700     5.7434     4.2056     1.2190     0.0000 
   C  18    2.2711     1.3129    10.0042     7.3590     6.6864     0.0000 




ATOMIC CHARGES
   N   1   -0.3028326407
   C   2    0.0735822776
   C   3   -0.0035125534
   C   4    0.0132731327
   C   5    0.0637742726
   C   6    0.0747502948
   N   7   -0.2451315610
   C   8    0.1009956945
   C   9    0.0171853296
   C  10    0.1174579508
   C  11   -0.0030779205
   C  12    0.0283138259
   C  13   -0.0027644226
   C  14   -0.0217635821
  Cl  15    0.0000000000
   C  16    0.0476488971
   C  17    0.0110732162
   C  18    0.0310277886


BOND ANGLES
   2    1    5  Car  Nar  Car    108.332
   2    1    8  Car  Nar  Car    119.063
   5    1    8  Car  Nar  Car    132.604
   1    2    3  Nar  Car  Car    108.328
   1    2    6  Nar  Car  Car    133.143
   3    2    6  Car  Car  Car    118.530
   2    3   12  Car  Car   C3    118.761
   2    3    4  Car  Car  Car    107.375
   4    3   12  Car  Car   C3    133.864
   5    4   11  Car  Car  Car    119.972
   3    4    5  Car  Car  Car    108.738
   3    4   11  Car  Car  Car    131.290
   1    5    4  Nar  Car  Car    107.227
   4    5    9  Car  Car  Car    119.737
   1    5    9  Nar  Car  Car    133.036
   2    6   16  Car  Car   C3    118.766
   2    6    7  Car  Car  Nar    108.439
   7    6   16  Nar  Car   C3    132.795
   6    7   10  Car  Nar  Car    121.281
   1    8   10  Nar  Car  Car    123.027
   5    9   13  Car  Car  Car    120.662
   7   10    8  Nar  Car  Car    115.047
   4   11   14  Car  Car  Car    119.674
   3   12   17  Car   C3   C3    117.144
   9   13   14  Car  Car  Car    119.825
  13   14   18  Car  Car   C3    120.475
  11   14   13  Car  Car  Car    120.130
  11   14   18  Car  Car   C3    119.395
   6   16   17  Car   C3   C3    119.808
  12   17   16   C3   C3   C3    126.991


TORSION ANGLES
   3    2    1    5      0.026
   3    2    1    8    179.974
   6    2    1    5    179.974
   6    2    1    8      0.026
  12    3    2    1    179.974
  12    3    2    6      0.026
   4    3    2    1      0.026
   4    3    2    6    179.974
  11    4    5    1    179.974
  11    4    5    9      0.026
   3    4    5    1      0.026
   3    4    5    9    179.974
   4    5    1    2      0.026
   4    5    1    8    179.974
   9    5    1    2    179.974
   9    5    1    8      0.026
  16    6    2    1    179.974
  16    6    2    3      0.026
   7    6    2    1      0.026
   7    6    2    3    179.974
   6    7   10    8      0.026
  10    8    1    2      0.026
  10    8    1    5    179.974
  13    9    5    4      0.026
  13    9    5    1    179.974
   7   10    8    1      0.026
  14   11    4    5      0.026
  14   11    4    3    179.974
  17   12    3    2      0.026
  17   12    3    4    179.974
  14   13    9    5      0.026
  18   14   13    9    179.974
  11   14   13    9      0.026
  17   16    6    2      0.026
  17   16    6    7    179.974
  12   17   16    6      0.026
   5    4    3    2      0.026
   5    4    3   12    179.974
  11    4    3    2    179.974
  11    4    3   12      0.026
  10    7    6    2      0.026
  10    7    6   16    179.974
  13   14   11    4      0.026
  18   14   11    4    179.974
  16   17   12    3      0.026