Geometry & MOs

Info

ID:	168361
PubChem CID:	74957238
Reduced:	Cl2N2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	334.156895
ΔH_f, kcal/mol:	-42.02
Dipole, Da:	3.61
IP(EA), eV:	-8.48(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-4,8-diphenyloct-7-ene-2,6-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C=CN2C(=O)C(=C(C=N2)Cl)Cl

DOS

IR

Vibrations