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

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Formula C5H10N5O2+
IUPAC Name (4s,5s,6s)-6-amino-3,4,5,6,7,9-hexahydro-1h-purin-1-ium-2,8-dione
Molecular Mass 172.165 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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