Geometry & MOs

Info

ID:

57276

PubChem CID:

22395578

Reduced:

O5C7H11 (1)

Stoich.:

A5B7C11 (1)

Weight, g/mol:

176.068473

ΔHf, kcal/mol:

-182.86

Dipole, Da:

0.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.780646

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-4-oxo-4-propan-2-yloxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(CC(=O)[O-])O

DOS

IR

Vibrations