Geometry & MOs

Info

ID:	15479
PubChem CID:	442471
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-72.95
Dipole, Da:	3.38
IP(EA), eV:	-9.32(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(C(=CO2)C)C(=O)C1

DOS

IR

Vibrations