2-Hydroxy-1-[2-{[9-(Trans-4-Methylcyclohexyl)-9H-Pyrido[4',3':4,5]Pyrrolo[2,3-D]Pyrimidin-2-Yl]Amino}-7,8-Dihydro-1,6-Naphthyridin-6(5H)-Yl]Ethanone

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Formula C26H30N7O2
IUPAC Name hydron; 1-[2-[[9-(4-methylcyclohexa-1,3-dien-1-yl)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,7-diid-6-yl]ethane-1,2-diol
Molecular Mass 476.594 g·mol−1
Heat of Formation 37.3 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 588.55 Å 3
Surface Area 486.3 Å 2
HOMO Energy -7.60 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
InChIKey BBUVDDPUURMFOX-SAABIXHNSA-N
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