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

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Properties Simple | Detailed

Formula C5H5N4O2+
IUPAC Name 7-hydroxy-3h-purine-1,9-diium-5-id-6-one
Molecular Mass 153.119 g·mol−1
Heat of Formation 85.9 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 154.46 Å 3
Surface Area 158.51 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry Cs
InChIKey YMEDTDJNSWNKQZ-UHFFFAOYSA-O
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