4-(1-Benzofuran-2-Ylcarbonyl)-6-Benzyl-1-(4-Methylbenzyl)-2-Piperazinone

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Properties Simple | Detailed

Formula C28H26N2O3
IUPAC Name (6s)-4-(benzofuran-2-carbonyl)-6-benzyl-1-(p-tolylmethyl)piperazin-2-one
Molecular Mass 438.518 g·mol−1
Heat of Formation -132.5 ± 16.7 kJ·mol−1
Dipole Moment 0.79 ± 1.08 D
Volume 526.18 Å 3
Surface Area 438.87 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey AUWNHKXYVROESW-DEOSSOPVSA-N
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