Geometry & MOs

Info

ID:	251301
PubChem CID:	103102895
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-110.2
Dipole, Da:	8.21
IP(EA), eV:	-9.31(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-amino-2-oxoethyl)-ethylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)C(=O)O)CC(=O)N

DOS

IR

Vibrations