2-Amino-7-Hydroxy-8-Methyl-3H-Purine-1,9-Diium-5-Id-6-One

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Properties Simple | Detailed

Formula C6H8N5O2+
IUPAC Name 2-amino-7-hydroxy-8-methyl-3h-purine-1,9-diium-5-id-6-one
Molecular Mass 182.160 g·mol−1
Heat of Formation 38.6 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 190.61 Å 3
Surface Area 191.72 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
InChIKey QPJRQRYOORCNLF-UHFFFAOYSA-O
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