1,7-Dihydropurine-3,9-Diium-5-Id-6-One

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Formula C5H5N4O
IUPAC Name 1,7-dihydropurine-3,9-diium-5-id-6-one
Molecular Mass 137.119 g·mol−1
Heat of Formation 85.6 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 143.38 Å 3
Surface Area 150.0 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry Cs
InChIKey XLZVGCGLPLUGGX-UHFFFAOYSA-O
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