Geometry & MOs

Info

ID:	393016
PubChem CID:	135018951
Reduced:	ClNOF3H11C17 (1)
Stoich.:	ABCD3E11F17 (1)
Weight, g/mol:	284.068473
ΔH_f, kcal/mol:	-135.28
Dipole, Da:	5.43
IP(EA), eV:	-9.17(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methoxyphenyl)-2-oxoacetyl]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(C=C2C3=CC=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations