N6-[2-[[4-(2,4-Dichlorophenyl)-5-(4H-Imidazol-1-Ium-4-Id-3-Yl)Pyrimidine-1,3-Diium-5-Id-2-Yl]Amino]Ethyl]-3-Nitro-Pyridin-1-Ium-3-Ide-2,6-Diamine
Properties
| Property | Value |
|---|---|
| Formula | C20H17Cl2N9O2 |
| IUPAC Name | n6-[2-[[4-(2,4-dichlorophenyl)-5-(4h-imidazol-1-ium-4-id-3-yl)pyrimidine-1,3-diium-5-id-2-yl]amino]ethyl]-3-nitro-pyridin-1-ium-3-ide-2,6-diamine |
| Molecular Mass | 486.314 g·mol−1 |
| Heat of Formation | 425.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.67 ± 1.08 D |
| Volume | 520.84 Å 3 |
| Surface Area | 447.71 Å 2 |
| HOMO Energy | -9.33 ± 0.55 eV |
| LUMO Energy | 0.67 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AGSVXWIGAVBLDF-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
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| Elements | H C N O Cl |