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

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Formula C6H14N5O+
IUPAC Name 2-amino-3-methyl-7h-purine-1,9-diium-5-id-6-one
Molecular Mass 172.208 g·mol−1
Heat of Formation 97.5 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 180.08 Å 3
Surface Area 179.48 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey RRHFPPHFLFPFOT-UHFFFAOYSA-O
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