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

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Formula C19H28N3O4
IUPAC Name 2,4-ditert-butyl-6-[(s)-hydroxy-(1-methyl-5-nitro-imidazol-3-ium-5-id-2-yl)methyl]phenol
Molecular Mass 362.443 g·mol−1
Heat of Formation -349.3 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 449.09 Å 3
Surface Area 372.83 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
InChIKey RGTWRNKYEANISY-INIZCTEOSA-N
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