Geometry & MOs

Info

ID:	373078
PubChem CID:	131309515
Reduced:	FO2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	343.95211
ΔH_f, kcal/mol:	-84.27
Dipole, Da:	4.44
IP(EA), eV:	-10.01(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-iodo-4-methoxy-5-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C=O)C=O

DOS

IR

Vibrations