Bengacarboline

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Properties Simple | Detailed

Formula C29H27N5
IUPAC Name 2-[2-[(1s)-1-(5h-indol-1-ium-5-id-3-yl)-3,4-dihydro-2h-pyrido[3,4-b]indol-9-ium-4a-id-1-yl]indol-1-ium-3-yl]ethanamine
Molecular Mass 445.558 g·mol−1
Heat of Formation 509.7 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 534.55 Å 3
Surface Area 425.59 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
InChIKey OAQQDJYICYMQEX-LJAQVGFWSA-N
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Elements H C N