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2,4-Dimethylimidazole
2,4-Dimethylimidazole ID: API-42867
CAS:930-62-1
Supplier:APIchem

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SMILES:[nH]1c(cnc1C)C	ChemMol.com
FORMULA: C5H8N2
MASS: 96.1304
EXACT MASS: 96.0687483
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.6180     0.0000 
   C   3    1.0000     1.6180     0.0000 
   C   4    1.0000     0.9999     1.6180     0.0000 
   C   5    1.6180     1.0000     0.9999     1.6180     0.0000 
   C   6    1.7820     2.5876     1.0001     2.5876     1.7821     0.0000 
   C   7    1.7820     1.7821     2.5876     1.0001     2.5876     3.5202 
   H   8    0.6200     2.2159     1.4537     1.4537     2.2159     1.9763 
   H   9    2.2160     1.4538     1.4537     2.2160     0.6201     1.9763 
   H  10    2.1362     2.5417     1.1766     2.7749     1.5990     0.6200 
   H  11    2.3514     3.1982     1.6201     3.1982     2.3514     0.6200 
   H  12    1.5990     2.7749     1.1766     2.5417     2.1361     0.6200 
   H  13    1.5990     2.1361     2.5417     1.1766     2.7749     3.3804 
   H  14    2.3513     2.3513     3.1981     1.6200     3.1981     4.1143 
   H  15    2.1361     1.5989     2.7748     1.1766     2.5416     3.7583 

              C   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   H   8    1.9763     0.0000 
   H   9    3.1610     2.7973     0.0000 
   H  10    3.7584     2.4545     1.5986     0.0000 
   H  11    4.1144     2.4539     2.4538     0.8768     0.0000 
   H  12    3.3804     1.5987     2.4544     1.2400     0.8769     0.0000 
   H  13    0.6200     1.5987     3.3835     3.7125     3.9385     3.1370 
   H  14    0.6199     2.4538     3.7611     4.3718     4.6995     3.9384 
   H  15    0.6200     2.4544     3.0502     3.9033     4.3718     3.7124 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    1.2400     0.8768     0.0000 



ATOMIC CHARGES
   N   1   -0.3460385649
   N   2   -0.2408385821
   C   3    0.0323860912
   C   4    0.1041076776
   C   5    0.0484363114
   C   6   -0.0229513440
   C   7   -0.0064742708
   H   8    0.1667257149
   H   9    0.0847563700
   H  10    0.0292278746
   H  11    0.0292278746
   H  12    0.0292278746
   H  13    0.0307356577
   H  14    0.0307356577
   H  15    0.0307356577


BOND ANGLES
   3    1    4  Car  Nar  Car    107.997
   3    1    8  Car  Nar   HC    126.001
   4    1    8  Car  Nar   HC    126.001
   4    2    5  Car  Nar  Car    108.000
   1    3    5  Nar  Car  Car    108.001
   1    3    6  Nar  Car   C3    125.995
   5    3    6  Car  Car   C3    126.004
   1    4    2  Nar  Car  Nar    108.001
   1    4    7  Nar  Car   C3    125.995
   2    4    7  Nar  Car   C3    126.004
   2    5    3  Nar  Car  Car    108.000
   2    5    9  Nar  Car   HC    126.005
   3    5    9  Car  Car   HC    125.995
   3    6   10  Car   C3   HC     89.996
   3    6   11  Car   C3   HC    179.974
   3    6   12  Car   C3   HC     90.001
  10    6   11   HC   C3   HC     89.991
  10    6   12   HC   C3   HC    179.974
  11    6   12   HC   C3   HC     90.012
   4    7   13  Car   C3   HC     90.001
   4    7   14  Car   C3   HC    179.974
   4    7   15  Car   C3   HC     89.987
  13    7   14   HC   C3   HC     90.009
  13    7   15   HC   C3   HC    179.974
  14    7   15   HC   C3   HC     90.003


TORSION ANGLES
   4    1    3    5      0.026
   4    1    3    6    179.974
   8    1    3    5    179.974
   8    1    3    6      0.026
   3    1    4    2      0.026
   3    1    4    7    179.974
   8    1    4    2    179.974
   8    1    4    7      0.026
   5    2    4    1      0.026
   5    2    4    7    179.974
   4    2    5    3      0.026
   4    2    5    9    179.974
   1    3    5    2      0.026
   1    3    5    9    179.974
   6    3    5    2    179.974
   6    3    5    9      0.026
   1    3    6   10    179.974
   1    3    6   11    179.974
   1    3    6   12      0.026
   5    3    6   10      0.026
   5    3    6   11      0.026
   5    3    6   12    179.974
   1    4    7   13      0.026
   1    4    7   14    179.974
   1    4    7   15    179.974
   2    4    7   13    179.974
   2    4    7   14      0.026
   2    4    7   15      0.026