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

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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
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