Formula |
C29H27F3N6O |
IUPAC Name |
3-(2-imidazo[1,2-b]pyridazin-1-ium-3-id-3-ylethynyl)-4-methyl-n-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide |
Molecular Mass |
532.559 g·mol−1 |
Heat of Formation |
-47.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.27 ± 1.08 D |
Volume |
611.83 Å 3 |
Surface Area |
527.07 Å 2 |
HOMO Energy |
-8.68 ± 0.55 eV |
LUMO Energy |
-1.25 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PHXJVRSECIGDHY-UHFFFAOYSA-N |
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Elements |
H
C
N
O
F
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