Geometry & MOs

Info

ID:	383876
PubChem CID:	134975904
Reduced:	LiO2C6H11 (1)
Stoich.:	AB2C6D11 (1)
Weight, g/mol:	158.040151
ΔH_f, kcal/mol:	-72.93
Dipole, Da:	4.78
IP(EA), eV:	-7.38(1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-2,5-dihydrothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

[Li+].[CH2-]CCC1COCO1

DOS

IR

Vibrations