4-[2-(1-Methyl-5-Nitro-Imidazol-3-Ium-5-Id-2-Yl)Ethynyl]-5H-Pyrimidine-1,3-Diium-5-Id-2-Amine
Properties
| Property | Value |
|---|---|
| Formula | C10H8N6O2 |
| 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 | 244.209 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 |
| QR Code | Generate QR Code |
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| Elements | H C O N |