Geometry & MOs

Info

ID:	449374
PubChem CID:	135298095
Reduced:	ClFO2N6C29H32 (1)
Stoich.:	ABC2D6E29F32 (1)
Weight, g/mol:	508.167747
ΔH_f, kcal/mol:	-13.48
Dipole, Da:	4.28
IP(EA), eV:	-8.42(-1.03)
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-yloxy)pyridin-3-yl]ethenyl]-2H-indazole

Drug info:

PubChemData

Smile

CC1=CN=CC(=C1[C@@H](C)OC2=CC3=C(NN=C3C=C2)/C=C(/C4=CN=C(C=C4)CN5CCN(CC5)CCO)\F)Cl

DOS

IR

Vibrations