Geometry & MOs

Info

ID:	18084
PubChem CID:	537708
Reduced:	OCl3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	213.971898
ΔH_f, kcal/mol:	-71.29
Dipole, Da:	4.16
IP(EA), eV:	-9.99(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,7-trichlorohept-6-en-2-one

Drug info:

PubChemData

Smile

CC(=O)CCC(C=C(Cl)Cl)Cl

DOS

IR

Vibrations