Geometry & MOs

Info

ID:	441521
PubChem CID:	135235660
Reduced:	ClOF3N3H11C16 (1)
Stoich.:	ABC3D3E11F16 (1)
Weight, g/mol:	328.132411
ΔH_f, kcal/mol:	-100.85
Dipole, Da:	6.59
IP(EA), eV:	-9.25(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyridin-3-yl)-2-(4-pyrazol-1-ylphenoxy)pyridine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)C2=C(N=CC=C2)OC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations