Geometry & MOs

Info

ID:	261461
PubChem CID:	103234961
Reduced:	BrNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-115.02
Dipole, Da:	2.86
IP(EA), eV:	-9.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methylanilino)ethoxy]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNCC(CC(=O)O)O)Br

DOS

IR

Vibrations