Geometry & MOs

Info

ID:	441939
PubChem CID:	135246808
Reduced:	ON4C24H24 (1)
Stoich.:	AB4C24D24 (1)
Weight, g/mol:	343.113233
ΔH_f, kcal/mol:	73.17
Dipole, Da:	3.96
IP(EA), eV:	-8.93(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1,1-difluoroethyl)phenoxy]-5-(2-methoxypyridin-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC2=CC=C(C=C2)CC3=C(C=CC=N3)C4=C(N=CC=C4)OC

DOS

IR

Vibrations