Geometry & MOs

Info

ID:	146176
PubChem CID:	53648157
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	316.058303
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	4.02
IP(EA), eV:	-8.87(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5-[3-(4-hydroxyphenyl)prop-2-enoyl]oxane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1C2=C(CCN1CC3=CC=CC=C3)CC(=O)CC2

DOS

IR

Vibrations