Geometry & MOs

Info

ID:	404047
PubChem CID:	135064804
Reduced:	Cl2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	302.070972
ΔH_f, kcal/mol:	-111.54
Dipole, Da:	2.79
IP(EA), eV:	-10.02(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)-3-oxopropyl]-3,5-dimethylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)CCC2=C(C(=O)C=C(C2=O)Cl)Cl

DOS

IR

Vibrations