Geometry & MOs

Info

ID:

9750

PubChem CID:

93052

Reduced:

O2C7H13 (1)

Stoich.:

A2B7C13 (1)

Weight, g/mol:

129.091555

ΔHf, kcal/mol:

-64.41

Dipole, Da:

3.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.779899

Charge, e:

 -1

Chem-info

IUPAC name:

heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)[O-]

DOS

IR

Vibrations