Geometry & MOs

Info

ID:

11705

PubChem CID:

119389

Reduced:

O2C8H15 (1)

Stoich.:

A2B8C15 (1)

Weight, g/mol:

143.107205

ΔHf, kcal/mol:

-70.46

Dipole, Da:

3.69

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.776389

Charge, e:

-1

Chem-info

IUPAC name:

octanoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)[O-]

DOS

IR

Vibrations