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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Links |
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Elements |
H
C
F
O
N
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