Geometry & MOs

Info

ID:	16382
PubChem CID:	466261
Reduced:	IO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	379.99094
ΔH_f, kcal/mol:	-42.4
Dipole, Da:	5.41
IP(EA), eV:	-9.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-4-methoxyphenyl)-3-(3-iodophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=CC=C2)I)O

DOS

IR

Vibrations