Formula |
C22H19F3N4O |
IUPAC Name |
5-[(5-methoxy-4h-pyrrolo[2,3-b]pyridin-1-ium-4-id-3-yl)methyl]-n-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine |
Molecular Mass |
412.408 g·mol−1 |
Heat of Formation |
-393.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.44 ± 1.08 D |
Volume |
463.06 Å 3 |
Surface Area |
414.57 Å 2 |
HOMO Energy |
-8.58 ± 0.55 eV |
LUMO Energy |
-1.16 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WLYQGNIWNGFGPH-UHFFFAOYSA-N |
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Elements |
H
C
F
O
N
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