Formula |
C23H22Cl2FN5O2 |
IUPAC Name |
7-[(1r)-1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-3-[1-(4-piperidyl)-3h-pyrazol-1-ium-3-ylium-4-yl]furo[3,2-c]pyridin-6-amine |
Molecular Mass |
490.357 g·mol−1 |
Heat of Formation |
-106.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.53 ± 1.08 D |
Volume |
528.63 Å 3 |
Surface Area |
442.78 Å 2 |
HOMO Energy |
-8.28 ± 0.55 eV |
LUMO Energy |
-1.16 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RFKWZWJQRQCLJF-GFCCVEGCSA-N |
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Elements |
C
Cl
H
F
O
N
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