2-[Hydroxy(1-Methyl-5-Nitro-1H-Imidazol-2-Yl)Methyl]-6-(2-Methyl-2-Propanyl)Phenol
Properties
Property | Value |
---|---|
Formula | C15H19N3O4 |
IUPAC Name | 2-(1,1-dimethylethyl)-6-[(s)-hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]phenol |
Molecular Mass | 305.329 g·mol−1 |
Heat of Formation | -258.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.81 ± 1.08 D |
Volume | 361.29 Å 3 |
Surface Area | 308.77 Å 2 |
HOMO Energy | -9.47 ± 0.55 eV |
LUMO Energy | 2.04 ± eV |
Point Group Symmetry | C1 |
InChIKey | MCNHVAPDUVFZDZ-ZDUSSCGKSA-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 |