4-[4-(4-Chlorophenyl)-1,4-Diazepan-1-Yl]-1-(4-Fluorophenyl)-1-Butanone

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Formula C21H24ClFN2O
IUPAC Name 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular Mass 374.879 g·mol−1
Heat of Formation -231.1 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 444.78 Å 3
Surface Area 321.43 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey MVKKLGNVARQKRP-UHFFFAOYSA-N
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Elements C F H Cl O N