Geometry & MOs

Info

ID:	258852
PubChem CID:	103157238
Reduced:	ClON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	244.142307
ΔH_f, kcal/mol:	-26.4
Dipole, Da:	7.01
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=CC(=C(C=C2)C#N)Cl)O

DOS

IR

Vibrations