Geometry & MOs

Info

ID:	20020
PubChem CID:	577004
Reduced:	OH4C5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	320.104859
ΔH_f, kcal/mol:	-91.8
Dipole, Da:	8.94
IP(EA), eV:	-9.37(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-(4-methylbenzoyl)-6-(4-methylphenyl)pyran-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=O)C(=C(O2)O)C(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations