Geometry & MOs

Info

ID:	143560
PubChem CID:	53227669
Reduced:	ClOH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	299.951163
ΔH_f, kcal/mol:	-63.05
Dipole, Da:	5.22
IP(EA), eV:	-9.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-(2,4-dichlorophenyl)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations