6-{[4-(4-Fluorobenzoyl)-1-Piperidinyl]Methyl}-6,7-Dihydro-1-Benzofuran-4(5H)-One

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Properties Simple | Detailed

Formula C21H22FNO3
IUPAC Name (6s)-6-[[4-(4-fluorobenzoyl)-1-piperidyl]methyl]-6,7-dihydro-5h-benzofuran-4-one
Molecular Mass 355.403 g·mol−1
Heat of Formation -456.2 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 422.27 Å 3
Surface Area 368.18 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey XFBPGUPMMWBWAS-CQSZACIVSA-N
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Elements H C N O F