Geometry & MOs

Info

ID:	261013
PubChem CID:	103214129
Reduced:	ClOI2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	249.061278
ΔH_f, kcal/mol:	37.78
Dipole, Da:	2.41
IP(EA), eV:	-9.46(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxypyridin-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)C2=CC(=C(C=C2)I)Cl)I

DOS

IR

Vibrations