(1R)-1-(2-Fluorophenyl)-1-(4-Fluorophenyl)-2-(1H-1,2,4-Triazol-1-Yl)Ethanol

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Properties Simple | Detailed

Formula C16H13F2N3O
IUPAC Name (1r)-1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Molecular Mass 301.291 g·mol−1
Heat of Formation -156.1 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 341.72 Å 3
Surface Area 287.62 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey JWUCHKBSVLQQCO-MRXNPFEDSA-N
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