2-{4-[(E)-2-{5-[(1R)-1-(3,5-Dichloro-4-Pyridinyl)Ethoxy]-1H-Indazol-3-Yl}Vinyl]-1H-Pyrazol-1-Yl}Ethanol

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Properties Simple | Detailed

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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Elements H C N O Cl