Geometry & MOs

Info

ID:	58993
PubChem CID:	24770181
Reduced:	O5C11H12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	346.068867
ΔH_f, kcal/mol:	-167.38
Dipole, Da:	5.05
IP(EA), eV:	-9.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-3,5-dihydroxybenzoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C(=O)OC)C=O

DOS

IR

Vibrations