Geometry & MOs

Info

ID:	50947
PubChem CID:	12013547
Reduced:	O3H12C13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	228.078644
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	3.08
IP(EA), eV:	-9.6(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-oxocyclohexen-1-yl)-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CCC(=O)/C(=C/1\C2=CC=CC=C2C(=O)O1)/C

DOS

IR

Vibrations