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 | 3-(1-oxido-3,7-dihydro-1h-imidazo[5,1-c][1,2,4]oxadiazole-1,4-diium-5-yl)-1,2-benzoxazole |
| Molecular Mass | 250.254 g·mol−1 |
| Heat of Formation | 1838.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.13 ± 1.08 D |
| Volume | 244.77 Å 3 |
| Surface Area | 231.93 Å 2 |
| HOMO Energy | -10.53 ± 0.55 eV |
| LUMO Energy | -0.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SPUUHYKZDFCYGW-YUMQZZPRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |