2-(1-Methyl-5-Nitro-Imidazol-3-Ium-5-Id-2-Yl)-5H-Pyrimidine-1,3-Diium-5-Ide
Properties
Property | Value |
---|---|
Formula | C8H7N5O2 |
IUPAC Name | 2-(1-methyl-5-nitro-imidazol-3-ium-5-id-2-yl)-5h-pyrimidine-1,3-diium-5-ide |
Molecular Mass | 205.173 g·mol−1 |
Heat of Formation | 343.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.38 ± 1.08 D |
Volume | 225.52 Å 3 |
Surface Area | 217.12 Å 2 |
HOMO Energy | -10.29 ± 0.55 eV |
LUMO Energy | 1.58 ± eV |
Point Group Symmetry | Cs |
InChIKey | WCBBBTFFYZMURR-UHFFFAOYSA-N |
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Elements | H C O N |