Geometry & MOs

Info

ID:	261009
PubChem CID:	103214051
Reduced:	ICl2O2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	250.061692
ΔH_f, kcal/mol:	-18.73
Dipole, Da:	5.4
IP(EA), eV:	-9.34(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations