Geometry & MOs

Info

ID:	10318
PubChem CID:	100341
Reduced:	OC2H2 (4)
Stoich.:	AB2C2 (4)
Weight, g/mol:	168.042259
ΔH_f, kcal/mol:	-135.23
Dipole, Da:	4.1
IP(EA), eV:	-10.68(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7S,7aS)-6,7-dihydroxy-7,7a-dihydro-6H-1-benzofuran-2-one

Drug info:

PubChemData

Smile

C1=CC2=CC(=O)O[C@@H]2[C@H]([C@@H]1O)O

DOS

IR

Vibrations