Geometry & MOs

Info

ID:	21139
PubChem CID:	587323
Reduced:	ClO5H9C15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	304.013851
ΔH_f, kcal/mol:	-155.99
Dipole, Da:	4.18
IP(EA), eV:	-10.21(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorobenzoyl)benzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)O)Cl

DOS

IR

Vibrations