1,3-Diethyl-7H-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C9H13N4O2
IUPAC Name 1,3-diethyl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 209.225 g·mol−1
Heat of Formation -243.9 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 241.24 Å 3
Surface Area 224.17 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey CDMJNDBQXXWWRD-UHFFFAOYSA-P
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