2-[Hydroxy(1-Methyl-5-Nitro-1H-Imidazol-2-Yl)Methyl]-4-Methyl-6-(2-Methyl-2-Propanyl)Phenol

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Formula C16H22N3O4
IUPAC Name 2-tert-butyl-6-[(s)-hydroxy-(1-methyl-5-nitro-imidazol-3-ium-5-id-2-yl)methyl]-4-methyl-phenol
Molecular Mass 320.364 g·mol−1
Heat of Formation -264.1 ± 16.7 kJ·mol−1
Dipole Moment 8.96 ± 1.08 D
Volume 382.93 Å 3
Surface Area 330.86 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
InChIKey GFZQMNIRXLORBU-AWEZNQCLSA-N
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