Geometry & MOs

Info

ID:	175373
PubChem CID:	75891234
Reduced:	ClO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	356.162374
ΔH_f, kcal/mol:	-62.39
Dipole, Da:	3.21
IP(EA), eV:	-9.21(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethoxy-4-methoxyphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COCCOC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2Cl

DOS

IR

Vibrations