Geometry & MOs

Info

ID:	282860
PubChem CID:	103942634
Reduced:	ClOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	194.049843
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	4.17
IP(EA), eV:	-9.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3-chlorophenyl)pent-2-en-1-one

Drug info:

PubChemData

Smile

CC/C=C/C(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations