Geometry & MOs

Info

ID:	10300
PubChem CID:	100079
Reduced:	ClO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	300.091707
ΔH_f, kcal/mol:	-54.08
Dipole, Da:	3.98
IP(EA), eV:	-9.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-6-methyl-3-phenyloxan-2-one

Drug info:

PubChemData

Smile

CC1CC(C(C(=O)O1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations