1-Methyl-7H-Purine-3,9-Diium-5-Id-6-One

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Formula C6H7N4O
IUPAC Name 1-methyl-7h-purine-3,9-diium-5-id-6-one
Molecular Mass 151.146 g·mol−1
Heat of Formation 80.8 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 165.19 Å 3
Surface Area 167.48 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey AXIYJWMPGAMYJY-UHFFFAOYSA-O
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