2-Amino-3H-Purine-1,7,9-Triium-6,8-Dione

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Formula C5H5N5O2
IUPAC Name 2-amino-3h-purine-1,7,9-triium-6,8-dione
Molecular Mass 167.125 g·mol−1
Heat of Formation -116.0 ± 16.7 kJ·mol−1
Dipole Moment 7.74 ± 1.08 D
Volume 169.53 Å 3
Surface Area 173.83 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
InChIKey QGAYQDSEFIAKNQ-UHFFFAOYSA-P
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