3-(1-Methyl-5-Nitro-1H-Imidazol-2-Yl)-3A,4,5,6,7,7A-Hexahydro-1,2-Benzoxazole
Properties
| Property | Value |
|---|---|
| Formula | C11H14N4O3 |
| IUPAC Name | (3ar,7as)-3-(1-methyl-5-nitro-imidazol-1-ium-2-ylium-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole |
| Molecular Mass | 250.254 g·mol−1 |
| Heat of Formation | 137.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.29 ± 1.08 D |
| Volume | 281.63 Å 3 |
| Surface Area | 257.14 Å 2 |
| HOMO Energy | -9.62 ± 0.55 eV |
| LUMO Energy | 1.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SPUUHYKZDFCYGW-SFYZADRCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |