2-[Hydroxy(1-Methyl-5-Nitro-1H-Imidazol-2-Yl)Methyl]-4,6-Bis(2-Methyl-2-Propanyl)Phenol
Properties
Property | Value |
---|---|
Formula | C19H27N3O4 |
IUPAC Name | 2,4-ditert-butyl-6-[(s)-hydroxy-(1-methyl-5-nitro-imidazol-3-ium-5-id-2-yl)methyl]phenol |
Molecular Mass | 361.435 g·mol−1 |
Heat of Formation | -329.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.96 ± 1.08 D |
Volume | 451.15 Å 3 |
Surface Area | 366.41 Å 2 |
HOMO Energy | -9.24 ± 0.55 eV |
LUMO Energy | 2.06 ± eV |
Point Group Symmetry | C1 |
InChIKey | UDEUGEPKOYAIRN-INIZCTEOSA-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 |