Geometry & MOs

Info

ID:	864
PubChem CID:	3453
Reduced:	OC9H15 (2)
Stoich.:	AB9C15 (2)
Weight, g/mol:	278.22458
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	4.77
IP(EA), eV:	-9.45(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadeca-6,9,12-trienoic acid

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCC=CCCCCC(=O)O

DOS

IR

Vibrations