Geometry & MOs

Info

ID:	441534
PubChem CID:	135235895
Reduced:	NOH9C10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	378.09914
ΔH_f, kcal/mol:	35.06
Dipole, Da:	4.53
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]oxy-3-methyl-2-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=C(N=CC=C2)OC3=CN=C(C=C3)C4CC4

DOS

IR

Vibrations