6-[3-(2-Pyridinyl)-2-(Trifluoromethyl)Phenoxy]-1-(2,4,6-Trifluorobenzyl)-4(1H)-Quinazolinone

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Formula C27H15F6N3O2
IUPAC Name 6-[3-(2-pyridyl)-2-(trifluoromethyl)phenoxy]-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-1-ium-3-id-4-one
Molecular Mass 527.417 g·mol−1
Heat of Formation -990.6 ± 16.7 kJ·mol−1
Dipole Moment 9.45 ± 1.08 D
Volume 547.67 Å 3
Surface Area 452.92 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry C1
InChIKey ULKGPNQNDBRKMD-UHFFFAOYSA-N
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