N-[2-Benzyl-6-(4-Oxocyclohexa-2,5-Dien-1-Ylidene)-1H-Pyrazin-4-Ium-2-Id-3-Yl]-2-(4-Hydroxyphenyl)Acetamide

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Properties Simple | Detailed

Formula C25H22N3O3
IUPAC Name n-[2-benzyl-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1h-pyrazin-4-ium-2-id-3-yl]-2-(4-hydroxyphenyl)acetamide
Molecular Mass 412.461 g·mol−1
Heat of Formation -30.4 ± 16.7 kJ·mol−1
Dipole Moment 9.89 ± 1.08 D
Volume 490.52 Å 3
Surface Area 411.18 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
InChIKey SWALWVJDTYVOKO-UHFFFAOYSA-O
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