Geometry & MOs

Info

ID:	140828
PubChem CID:	52767964
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-178.77
Dipole, Da:	1.12
IP(EA), eV:	-8.76(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NCCC(=O)OCC

DOS

IR

Vibrations