Geometry & MOs

Info

ID:

144773

PubChem CID:

53411053

Reduced:

O2C12H21 (1)

Stoich.:

A2B12C21 (1)

Weight, g/mol:

198.16198

ΔHf, kcal/mol:

-98.87

Dipole, Da:

0.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.898343

Charge, e:

 0

Chem-info

IUPAC name:

dodec-3-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC=CCC(=O)[O-]

DOS

IR

Vibrations