Geometry & MOs

Info

ID:	29325
PubChem CID:	832958
Reduced:	ON2H14C18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	344.089603
ΔH_f, kcal/mol:	48.67
Dipole, Da:	5.61
IP(EA), eV:	-9.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2C=C(NC(=O)[C@H]2C#N)C3=CC=CC=C3

DOS

IR

Vibrations