4-[2-(1-Methyl-5-Nitro-Imidazol-3-Ium-5-Id-2-Yl)Ethynyl]-5H-Pyrimidine-1,3-Diium-5-Id-2-Amine

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Formula C10H10N6O2
IUPAC Name 4-[2-(1-methyl-5-nitro-imidazol-3-ium-5-id-2-yl)ethynyl]-5h-pyrimidine-1,3-diium-5-id-2-amine
Molecular Mass 246.225 g·mol−1
Heat of Formation 549.9 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 269.86 Å 3
Surface Area 264.39 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry Cs
InChIKey NMKBTLVQOKNMMP-UHFFFAOYSA-N
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