Formula |
C21H16F2N6 |
IUPAC Name |
3-[1-[(2,5-difluorophenyl)methyl]pyrazol-1-ium-2-id-4-yl]-5-(2-methyl-3h-pyrazol-2-ium-3-ylium-4-yl)pyrrolo[2,3-b]pyridin-1-ium |
Molecular Mass |
390.389 g·mol−1 |
Heat of Formation |
322.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.92 ± 1.08 D |
Volume |
440.05 Å 3 |
Surface Area |
393.83 Å 2 |
HOMO Energy |
-8.22 ± 0.55 eV |
LUMO Energy |
2.09 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SDWMCZUOCJDBOJ-UHFFFAOYSA-N |
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Elements |
H
C
N
F
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