4-(4-(4-Chlorophenyl)-4-Hydroxyazepan-1-Yl)-1-(4-Fluorophenyl)Butan-1-One

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Formula C22H25ClFNO2
IUPAC Name 4-[(1s,4r)-4-(4-chlorophenyl)-4-hydroxy-azepan-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular Mass 389.891 g·mol−1
Heat of Formation -450.2 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 463.7 Å 3
Surface Area 359.24 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey JJXYNELAGRWXFC-JOCHJYFZSA-N
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Elements C F H Cl O N