{4-[Bis(4-Fluorophenyl)Methyl]-1-Piperazinyl}(1H-1,2,4-Triazol-1-Yl)Methanone

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Properties Simple | Detailed

Formula C20H19F2N5O
IUPAC Name 2-aza-1-azonia-4-azanidacyclopenta-2,5-dien-1-yl-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methanone
Molecular Mass 383.395 g·mol−1
Heat of Formation -91.8 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 440.09 Å 3
Surface Area 372.73 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey UIOVHJYJUUSVIG-UHFFFAOYSA-N
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