2-Tert-Butyl-6-[(S)-Hydroxy-(1-Methyl-5-Nitro-Imidazol-3-Ium-5-Id-2-Yl)Methyl]-4-Methoxy-Phenol

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Formula C16H22N3O5
IUPAC Name 2-tert-butyl-6-[(s)-hydroxy-(1-methyl-5-nitro-imidazol-3-ium-5-id-2-yl)methyl]-4-methoxy-phenol
Molecular Mass 336.363 g·mol−1
Heat of Formation -406.5 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 397.4 Å 3
Surface Area 337.78 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
InChIKey JLSDQUHPPUWZNI-AWEZNQCLSA-N
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