Geometry & MOs

Info

ID:	319398
PubChem CID:	126655862
Reduced:	ClO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	302.13068
ΔH_f, kcal/mol:	-32.53
Dipole, Da:	6.69
IP(EA), eV:	-9.51(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethylphenyl)-3-(2-methylphenyl)cyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=O)C(=O)C(=C1)C2=CC=CC=C2Cl

DOS

IR

Vibrations