Geometry & MOs

Info

ID:	226532
PubChem CID:	87457794
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	450.37091
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	3.43
IP(EA), eV:	-11.27(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diundecyl (2E,4E)-hexa-2,4-dienedioate

Drug info:

PubChemData

Smile

CCCOC(=O)C#CC#CC(=O)OCC

DOS

IR

Vibrations