5-{[(2R,3R)-2-{(1R)-1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethoxy}-3-(4-Fluorophenyl)-4-Morpholinyl]Methyl}-1,2-Dihydro-3H-1,2,4-Triazol-3-One

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Formula C23H21F7N4O3
IUPAC Name 5-[[(2r,3r,4r)-2-[(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2,4-triazole-1,2-diium-3-one
Molecular Mass 534.427 g·mol−1
Heat of Formation -1652.6 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 565.86 Å 3
Surface Area 427.16 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry C1
InChIKey ATALOFNDEOCMKK-TVNIXMEMSA-N
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Elements H C N O F