Geometry & MOs

Info

ID:	20751
PubChem CID:	585522
Reduced:	O2Cl3C8H11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	243.982463
ΔH_f, kcal/mol:	-117.44
Dipole, Da:	3.75
IP(EA), eV:	-10.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6,6,6-trichlorohex-4-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC=CC(Cl)(Cl)Cl

DOS

IR

Vibrations