Geometry & MOs

Info

ID:

144949

PubChem CID:

53436331

Reduced:

O3C8H15 (1)

Stoich.:

A3B8C15 (1)

Weight, g/mol:

354.152597

ΔHf, kcal/mol:

-95.87

Dipole, Da:

1.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.779456

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC=CCCO.CC(=O)[O-]

DOS

IR

Vibrations