[7-[(E)-5-[(1S,2R,4As,8As)-4A-Hydroxy-1,2,5,5-Tetramethyl-Decalin-1-Yl]-3-Methyl-Pent-2-Enyl]-3-Methyl-Purine-1,9-Diium-5-Id-6-Yl]-Methyl-Azanide

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Formula C27H45N5O
IUPAC Name [7-[(e)-5-[(1s,2r,4as,8as)-4a-hydroxy-1,2,5,5-tetramethyl-decalin-1-yl]-3-methyl-pent-2-enyl]-3-methyl-purine-1,9-diium-5-id-6-yl]-methyl-azanide
Molecular Mass 455.679 g·mol−1
Heat of Formation -138.6 ± 16.7 kJ·mol−1
Dipole Moment 1.69 ± 1.08 D
Volume 595.18 Å 3
Surface Area 458.31 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
InChIKey BISYOWQHGBXXQV-DYEOWRPNSA-O
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