Geometry & MOs

Info

ID:	227124
PubChem CID:	87560295
Reduced:	AlO6C27H49 (1)
Stoich.:	AB6C27D49 (1)
Weight, g/mol:	496.334453
ΔH_f, kcal/mol:	-244.94
Dipole, Da:	15.43
IP(EA), eV:	-8.51(-3.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-octadec-9-enoate;3-oxohexanoate;propan-2-yloxyaluminum(2+)

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCC(C(=O)C)C(=O)[O-].CC(C)O[Al+2]

DOS

IR

Vibrations