Formula |
C21H19Cl2N5O2 |
IUPAC Name |
2-[4-[(e)-2-[5-[(1r)-1-(3,5-dichloro-4-pyridyl)ethoxy]-1h-indazol-3-yl]vinyl]pyrazol-1-yl]ethanol |
Molecular Mass |
444.314 g·mol−1 |
Heat of Formation |
175.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.26 ± 1.08 D |
Volume |
494.54 Å 3 |
Surface Area |
401.65 Å 2 |
HOMO Energy |
-8.20 ± 0.55 eV |
LUMO Energy |
-0.91 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GKJCVYLDJWTWQU-CXLRFSCWSA-N |
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Links |
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Elements |
H
C
N
O
Cl
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