Geometry & MOs

Info

ID:	26215
PubChem CID:	641125
Reduced:	O2Cl3C6H7 (1)
Stoich.:	A2B3C6D7 (1)
Weight, g/mol:	229.966813
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	6.17
IP(EA), eV:	-10.19(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCO/C=C/C(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations