(2S)-8-Benzyl-2-Hydroperoxy-6-(4-Hydroxyphenyl)-2-[(4-Hydroxyphenyl)Methyl]-5H-Imidazo[1,2-A]Pyrazin-7-Ium-5-Id-3-One

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Properties Simple | Detailed

Formula C26H21N3O5
IUPAC Name (2s)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5h-imidazo[1,2-a]pyrazin-7-ium-5-id-3-one
Molecular Mass 455.462 g·mol−1
Heat of Formation -74.0 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 525.05 Å 3
Surface Area 447.37 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 1.69 ± eV
Point Group Symmetry C1
InChIKey GEMANDBTGAKHRO-JGZAQREWSA-O
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