Geometry & MOs

Info

ID:	9437
PubChem CID:	89537
Reduced:	O2Cl5C8H9 (1)
Stoich.:	A2B5C8D9 (1)
Weight, g/mol:	313.901568
ΔH_f, kcal/mol:	-115.07
Dipole, Da:	2.64
IP(EA), eV:	-10.34(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2,3,4,4,4-pentachlorobut-2-enoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C(=C(C(Cl)(Cl)Cl)Cl)Cl

DOS

IR

Vibrations