Geometry & MOs

Info

ID:	224292
PubChem CID:	85341157
Reduced:	O3C17H32 (1)
Stoich.:	A3B17C32 (1)
Weight, g/mol:	284.060407
ΔH_f, kcal/mol:	-167.09
Dipole, Da:	2.24
IP(EA), eV:	-10.08(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-4-(4-methylphenyl)but-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CCCCCCCC1C(O1)CCCCCCC(=O)OC

DOS

IR

Vibrations