Cis-3A,4,5,6,7,7A-Hexahydro-3-(1-Methyl-5-Nitro-1H-Imidazol-2-Yl)-1,2-Benzisoxazole-6,7-Diol
Properties
| Property | Value |
|---|---|
| Formula | C11H14N4O5 |
| IUPAC Name | 3-(1-methyl-5-nitro-2h-imidazol-1-ium-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-6,7-diol |
| Molecular Mass | 282.253 g·mol−1 |
| Heat of Formation | 1086.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.81 ± 1.08 D |
| Volume | 265.83 Å 3 |
| Surface Area | 252.42 Å 2 |
| HOMO Energy | -10.75 ± 0.55 eV |
| LUMO Energy | -0.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZAYDDXBAZPKGDR-DWAQLAQLSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |