Geometry & MOs

Info

ID:	188813
PubChem CID:	77770022
Reduced:	ClN2O3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-159.07
Dipole, Da:	4.69
IP(EA), eV:	-9.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(2-aminoacetyl)amino]butanoate

Drug info:

PubChemData

Smile

CC(CNC(=O)CN)C(=O)OCC1=CC=CC=C1.Cl

DOS

IR

Vibrations