Geometry & MOs

Info

ID:	232173
PubChem CID:	87575642
Reduced:	AgOC9H16 (1)
Stoich.:	ABC9D16 (1)
Weight, g/mol:	670.590011
ΔH_f, kcal/mol:	-59.17
Dipole, Da:	2.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751550
Charge, e:	0

Chem-info

IUPAC name:

docosa-2,4-dienoic acid;docosa-13,16,19-trienoic acid

Drug info:

PubChemData

Smile

CCCCCC(C)(C#C)O.[Ag]

DOS

IR

Vibrations