Geometry & MOs

Info

ID:	250116
PubChem CID:	103094273
Reduced:	ClON3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	257.056719
ΔH_f, kcal/mol:	-23.07
Dipole, Da:	2.32
IP(EA), eV:	-9.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-[(3-chloropyridin-2-yl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1(CCNC1)C(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations