Geometry & MOs

Info

ID:	5165
PubChem CID:	12693
Reduced:	ClOC4H5 (1)
Stoich.:	ABC4D5 (1)
Weight, g/mol:	104.002893
ΔH_f, kcal/mol:	-34.93
Dipole, Da:	4.3
IP(EA), eV:	-10.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chlorobut-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)C(=C)Cl

DOS

IR

Vibrations