Geometry & MOs

Info

ID:	1816
PubChem CID:	5115
Reduced:	NO4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	195.053158
ΔH_f, kcal/mol:	-140.5
Dipole, Da:	3.02
IP(EA), eV:	-10.34(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[amino(carboxy)methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C(=O)O)N)C(=O)O

DOS

IR

Vibrations