Geometry & MOs

Info

ID:	296661
PubChem CID:	117587883
Reduced:	ClN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	261.0404
ΔH_f, kcal/mol:	-114.99
Dipole, Da:	6.42
IP(EA), eV:	-9.92(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(carboxymethyl)-4-methoxybenzoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CC(=O)O)O)N)C#N.Cl

DOS

IR

Vibrations