(3R)-1,1-Dipentyl-3-(5-Phenyl-1H-Imidazol-2-Yl)-2,3,4,9-Tetrahydro-1H-β-Carboline

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Properties Simple | Detailed

Formula C30H38N4
IUPAC Name (3r)-1,1-dipentyl-3-(4-phenyl-3h-imidazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole
Molecular Mass 454.650 g·mol−1
Heat of Formation 189.9 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 597.35 Å 3
Surface Area 509.63 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-1,1-diamyl-3-(4-phenyl-3h-imidazol-2-yl)-2,3,4,9-tetrahydro-$b-carboline
  • bn-81674
InChIKey DGSMSHNIDMODOQ-AREMUKBSSA-N
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Elements H C N