Geometry & MOs

Info

ID:	143568
PubChem CID:	53228169
Reduced:	ClO4H11C15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	290.034586
ΔH_f, kcal/mol:	-135.41
Dipole, Da:	3.69
IP(EA), eV:	-10.15(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-carboxy-4-chlorophenyl)-2-methylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations