8-[(E)-2-(3,4-Dimethoxyphenyl)Vinyl]-1,3-Diethyl-7-Methyl-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C20H25N4O4
IUPAC Name 8-[(e)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 385.437 g·mol−1
Heat of Formation -420.4 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 456.16 Å 3
Surface Area 408.04 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey TYQUXGOTXZOWKO-PKNBQFBNSA-P
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