2-(Methylamino)-3,7-Dihydropurine-1,9-Diium-5-Id-6-One

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Formula C6H14N5O+
IUPAC Name 2-(methylamino)-3,7-dihydropurine-1,9-diium-5-id-6-one
Molecular Mass 172.208 g·mol−1
Heat of Formation 99.6 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 180.6 Å 3
Surface Area 183.3 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
InChIKey ZASUZWVGYVWDMR-UHFFFAOYSA-O
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