Geometry & MOs

Info

ID:	16380
PubChem CID:	466259
Reduced:	IO2H11C15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	349.98038
ΔH_f, kcal/mol:	2.58
Dipole, Da:	5.13
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyphenyl)-3-(2-iodophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC=C2O)I

DOS

IR

Vibrations