2-[Hydroxy(1-Methyl-5-Nitro-1H-Imidazol-2-Yl)Methyl]-3-Methyl-6-(2-Methyl-2-Propanyl)Phenol

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Formula C16H22N3O4
IUPAC Name 6-tert-butyl-2-[(s)-hydroxy-(1-methyl-5-nitro-imidazol-3-ium-5-id-2-yl)methyl]-3-methyl-phenol
Molecular Mass 320.364 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
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