Geometry & MOs

Info

ID:	251436
PubChem CID:	103103920
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	237.111341
ΔH_f, kcal/mol:	-114.72
Dipole, Da:	2.22
IP(EA), eV:	-8.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[(2-amino-2-oxoethyl)-ethylamino]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=CC=CC(=C1N)C(=O)OC

DOS

IR

Vibrations