Geometry & MOs

Info

ID:	251300
PubChem CID:	103102889
Reduced:	N2O4C9H18 (1)
Stoich.:	A2B4C9D18 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-189.05
Dipole, Da:	4.14
IP(EA), eV:	-9.15(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-amino-2-oxoethyl)-ethylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations