Geometry & MOs

Info

ID:	8684
PubChem CID:	80217
Reduced:	Cl2O3C6H8 (1)
Stoich.:	A2B3C6D8 (1)
Weight, g/mol:	197.98505
ΔH_f, kcal/mol:	-148.41
Dipole, Da:	3.52
IP(EA), eV:	-10.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-dichloro-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C)(Cl)Cl

DOS

IR

Vibrations