2-Amino-7-Methyl-1H-Purine-3,9-Diium-5-Id-6-One

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Formula C6H8N5O
IUPAC Name 2-amino-7-methyl-1h-purine-3,9-diium-5-id-6-one
Molecular Mass 166.161 g·mol−1
Heat of Formation 71.9 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 180.17 Å 3
Surface Area 181.05 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey KBUMSXGIGXHLCZ-UHFFFAOYSA-O
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