Geometry & MOs

Info

ID:	26214
PubChem CID:	641123
Reduced:	NCl2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	215.951163
ΔH_f, kcal/mol:	-49.83
Dipole, Da:	6.16
IP(EA), eV:	-8.7(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C(=O)C=C(C2=O)Cl)Cl

DOS

IR

Vibrations