Geometry & MOs

Info

ID:

57372

PubChem CID:

22395769

Reduced:

O4C13H25 (1)

Stoich.:

A4B13C25 (1)

Weight, g/mol:

156.11503

ΔHf, kcal/mol:

-188.2

Dipole, Da:

2.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.778900

Charge, e:

 0

Chem-info

IUPAC name:

(E)-5-methyloct-6-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC(=O)O.CC(=O)[O-]

DOS

IR

Vibrations