Geometry & MOs

Info

ID:	142109
PubChem CID:	52983714
Reduced:	ClN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	242.094294
ΔH_f, kcal/mol:	-47.18
Dipole, Da:	7.2
IP(EA), eV:	-9.3(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxy-5-methylphenyl)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(N=C2N1C=CC=C2C(=O)O)C3=CC=CC=C3.Cl

DOS

IR

Vibrations