(3S)-9-Methyl-3-[(2-Methyl-1H-Imidazol-1-Yl)Methyl]-1,2,3,9-Tetrahydro-4H-Carbazol-4-One

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Properties Simple | Detailed

Formula C18H19N3O
IUPAC Name (3s)-9-methyl-3-[(2-methylimidazol-1-ium-2-ylium-1-yl)methyl]-2,3-dihydro-1h-carbazol-9-ium-9a-ylium-4-one
Molecular Mass 293.363 g·mol−1
Heat of Formation 100.6 ± 16.7 kJ·mol−1
Dipole Moment 10.75 ± 1.08 D
Volume 361.18 Å 3
Surface Area 309.34 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-9-methyl-3-[(2-methyl-1-imidazolyl)methyl]-2,3-dihydro-1h-carbazol-4-one
  • (3s)-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1h-carbazol-4-one
  • ks-1091
  • pdsp1_000037
  • pdsp2_000037
InChIKey FELGMEQIXOGIFQ-ZDUSSCGKSA-N
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