2-[Hydroxy(1-Methyl-5-Nitro-1H-Imidazol-2-Yl)Methyl]-3-Methyl-6-(2-Methyl-2-Propanyl)Phenol
Properties
| Property | Value |
|---|---|
| Formula | C16H21N3O4 |
| IUPAC Name | 6-(1,1-dimethylethyl)-2-[(s)-hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]-3-methyl-phenol |
| Molecular Mass | 319.356 g·mol−1 |
| Heat of Formation | -295.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.28 ± 1.08 D |
| Volume | 379.82 Å 3 |
| Surface Area | 315.87 Å 2 |
| HOMO Energy | -9.36 ± 0.55 eV |
| LUMO Energy | 2.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CRIMPGQQEKVTHW-AWEZNQCLSA-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 |