2-Hydroxy-1-[2-[[9-(4-Methylcyclohexyl)Pyrido[3,4]Pyrrolo[1,3-D]Pyrimidine-1,3,7-Triium-4A,8A-Diid-2-Yl]Amino]-7,8-Dihydro-5H-1,6-Naphthyridin-1-Ium-4A-Id-6-Yl]Ethanone

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Properties Simple | Detailed

Formula C26H29N7O2
IUPAC Name 2-hydroxy-1-[2-[[9-(4-methylcyclohexyl)pyrido[3,4]pyrrolo[1,3-d]pyrimidine-1,3,7-triium-4a,8a-diid-2-yl]amino]-7,8-dihydro-5h-1,6-naphthyridin-1-ium-4a-id-6-yl]ethanone
Molecular Mass 471.554 g·mol−1
Heat of Formation 43.5 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 557.91 Å 3
Surface Area 475.31 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
InChIKey VBTZOVIEFMZKOA-SAABIXHNSA-O
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