Geometry & MOs

Info

ID:	225713
PubChem CID:	87225386
Reduced:	NaO2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	208.143924
ΔH_f, kcal/mol:	-112.03
Dipole, Da:	4.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

sodium;(2R)-2-propyloctanoate

Drug info:

PubChemData

Smile

CCCCCC[C@@H](CCC)C(=O)O.[Na]

DOS

IR

Vibrations