2-(Methylamino)-3H-Purine-1,7,9-Triium-6,8-Dione

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Formula C6H12N5O2+
IUPAC Name 2-(methylamino)-3h-purine-1,7,9-triium-6,8-dione
Molecular Mass 186.192 g·mol−1
Heat of Formation -116.9 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 191.39 Å 3
Surface Area 193.32 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
InChIKey UXXLGLXYQCMURS-UHFFFAOYSA-O
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