4,6-Dimethyl-4H-(1,2,5)Oxadiazolo(3,4-D)Pyrimidine-5,7-Dione 1-Oxide

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Formula C6H11N4O4++
IUPAC Name 4,6-dimethyl-1-oxido-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-5,7-dione
Molecular Mass 203.176 g·mol−1
Heat of Formation -114.9 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 198.37 Å 3
Surface Area 194.66 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry Cs
InChIKey NXKINPJXIQQAAF-UHFFFAOYSA-N
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