(3R)-2-[5-(4-Methoxycyclohexyl)Pyrimidine-1,3-Diium-5-Id-2-Yl]-3-(3,4,6,7-Tetrahydro-2H-Benzofuran-3A,4,5,6,7,7A-Hexaid-5-Yl)-3,4,5,6,7,8-Hexahydro-1H-Pyrrolo[3,4-B]Quinoline-3A,4A,5,6,7,8,8A,9A-Octaid-9-One

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Formula C30H46N4O3+
IUPAC Name (3r)-2-[5-(4-methoxycyclohexyl)pyrimidine-1,3-diium-5-id-2-yl]-3-(3,4,6,7-tetrahydro-2h-benzofuran-3a,4,5,6,7,7a-hexaid-5-yl)-3,4,5,6,7,8-hexahydro-1h-pyrrolo[3,4-b]quinoline-3a,4a,5,6,7,8,8a,9a-octaid-9-one
Molecular Mass 510.711 g·mol−1
Heat of Formation 99.3 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 559.1 Å 3
Surface Area 487.39 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey DUQDTDOTUCCXCV-YGSAGDLDSA-O
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