Geometry & MOs

Info

ID:	401838
PubChem CID:	135052869
Reduced:	O8H22C23 (1)
Stoich.:	A8B22C23 (1)
Weight, g/mol:	296.104859
ΔH_f, kcal/mol:	-227.17
Dipole, Da:	2.23
IP(EA), eV:	-8.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-6-methoxy-2-[(3-methoxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CC(=O)C2=CC=CC=C2OC(=O)C3=CC=C(O3)CO

DOS

IR

Vibrations