Geometry & MOs

Info

ID:	395018
PubChem CID:	135024454
Reduced:	Cl2O6C11H12 (1)
Stoich.:	A2B6C11D12 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-249.88
Dipole, Da:	2.93
IP(EA), eV:	-10.34(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,4E)-5-cyclohexyl-4-methoxypenta-2,4-dienoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C/C(=C(\C(=O)O)/Cl)/Cl)C(=O)OCC

DOS

IR

Vibrations