Geometry & MOs

Info

ID:	213323
PubChem CID:	81063449
Reduced:	NCl2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	299.103669
ΔH_f, kcal/mol:	-173.86
Dipole, Da:	3.02
IP(EA), eV:	-9.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(5-chloropyridin-2-yl)-methylamino]acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=C(C(=C1)Cl)OC)Cl

DOS

IR

Vibrations