Formula |
C26H24F4N6O |
IUPAC Name |
4-fluoro-n-methyl-n-[1-[4-(2-methylpyrazol-2-ium-3-ylium-3-yl)phthalazin-1-yl]-4-piperidyl]-2-(trifluoromethyl)benzamide |
Molecular Mass |
512.502 g·mol−1 |
Heat of Formation |
-425.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.89 ± 1.08 D |
Volume |
562.61 Å 3 |
Surface Area |
462.12 Å 2 |
HOMO Energy |
-9.39 ± 0.55 eV |
LUMO Energy |
1.52 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SZBGQDXLNMELTB-UHFFFAOYSA-N |
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Elements |
H
C
N
O
F
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