2-[Hydroxy(1-Methyl-5-Nitro-1H-Imidazol-2-Yl)Methyl]-4-Methoxy-6-(2-Methyl-2-Propanyl)Phenol
Properties
Property | Value |
---|---|
Formula | C16H21N3O5 |
IUPAC Name | 2-(1,1-dimethylethyl)-6-[(s)-hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]-4-methoxy-phenol |
Molecular Mass | 335.355 g·mol−1 |
Heat of Formation | -386.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.80 ± 1.08 D |
Volume | 394.3 Å 3 |
Surface Area | 334.26 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | 2.00 ± eV |
Point Group Symmetry | C1 |
InChIKey | MMUGHZVJLWSNJQ-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 |