Geometry & MOs

Info

ID:	24976
PubChem CID:	615905
Reduced:	IOF3H8C14 (1)
Stoich.:	ABC3D8E14 (1)
Weight, g/mol:	375.9572
ΔH_f, kcal/mol:	-126.96
Dipole, Da:	1.68
IP(EA), eV:	-9.79(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-iodophenyl)-[3-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C(=O)C2=CC=C(C=C2)I

DOS

IR

Vibrations