Geometry & MOs

Info

ID:	170691
PubChem CID:	75268542
Reduced:	Cl2O2H10C15 (1)
Stoich.:	A2B2C10D15 (1)
Weight, g/mol:	286.076057
ΔH_f, kcal/mol:	-32.85
Dipole, Da:	1.74
IP(EA), eV:	-9.32(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-hydroxyphenyl)-1-(3,4-dimethylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)C=CC2=CC(=C(C=C2)O)Cl

DOS

IR

Vibrations