Geometry & MOs

Info

ID:	407700
PubChem CID:	135080455
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-138.58
Dipole, Da:	1.3
IP(EA), eV:	-8.81(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(1R)-1-hydroxy-2-methoxyethyl]-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)OC([C@H]([C@@H]2O)O)(C)C

DOS

IR

Vibrations