Geometry & MOs

Info

ID:	388015
PubChem CID:	134987862
Reduced:	ClSSeC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	20.37
Dipole, Da:	3.41
IP(EA), eV:	-8.56(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzoyl-3-methyl-5-oxohexanal

Drug info:

PubChemData

Smile

CCCCS/C=C(/Cl)\[Se]C1=CC=CC=C1

DOS

IR

Vibrations