Geometry & MOs

Info

ID:	449378
PubChem CID:	135298117
Reduced:	OCl2N6C26H26 (1)
Stoich.:	AB2C6D26E26 (1)
Weight, g/mol:	522.183397
ΔH_f, kcal/mol:	80.56
Dipole, Da:	1.2
IP(EA), eV:	-8.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-1-(3-chloro-5-methylpyridin-4-yl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxan-4-ylmethoxy)pyridin-3-yl]ethenyl]-2H-indazole

Drug info:

PubChemData

Smile

CC(C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3/C=C/C4=NC=C(C=N4)CN5CCCCC5

DOS

IR

Vibrations