6-Amino-1H-Purin-3-Ium-2,8-Dione

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Formula C5H5N5O2
IUPAC Name 6-amino-1h-purin-3-ium-2,8-dione
Molecular Mass 167.125 g·mol−1
Heat of Formation -158.4 ± 16.7 kJ·mol−1
Dipole Moment 7.56 ± 1.08 D
Volume 169.56 Å 3
Surface Area 173.12 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey DUNDMXPYBZPOSL-UHFFFAOYSA-P
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