Geometry & MOs

Info

ID:	292365
PubChem CID:	114917555
Reduced:	ON2Cl3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-6.39
Dipole, Da:	2.02
IP(EA), eV:	-9.72(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpyrrolidine-3-carbonyl)amino]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations