3A,4,5,6,7,8,9,9A-Octahydro-3-(1-Methyl-5-Nitroimidazol-2-Yl)Cycloocta(D)Isoxazole
Properties
| Property | Value |
|---|---|
| Formula | C13H18N4O3 |
| IUPAC Name | (3as,9ar)-3-(1-methyl-5-nitro-imidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole |
| Molecular Mass | 278.307 g·mol−1 |
| Heat of Formation | 68.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.46 ± 1.08 D |
| Volume | 321.84 Å 3 |
| Surface Area | 282.7 Å 2 |
| HOMO Energy | -9.60 ± 0.55 eV |
| LUMO Energy | 1.70 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BDOFOUFSNOJTBO-NXEZZACHSA-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 |