1,3,7-Trimethylhexahydro-1H-Purine-2,6-Dione

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Formula C8H14N4O2
IUPAC Name 1,3,7-trimethylpurin-9-ium-5-ide-2,6-dione
Molecular Mass 198.222 g·mol−1
Heat of Formation -193.3 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 218.67 Å 3
Surface Area 208.66 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry Cs
InChIKey QISGHOCVHLUEOE-UHFFFAOYSA-P
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