3-Methyl-4-Oxo-Imidazo[5,1-D][1,2,3,5]Tetrazine-3,7-Diium-8-Carboxamide

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Formula C6H6N6O2
IUPAC Name 3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-3,7-diium-8-carboxamide
Molecular Mass 194.151 g·mol−1
Heat of Formation 52.7 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 201.99 Å 3
Surface Area 200.64 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 1.38 ± eV
Point Group Symmetry Cs
InChIKey QCNKPHVYPFGGQW-UHFFFAOYSA-O
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