Geometry & MOs

Info

ID:	303870
PubChem CID:	124490514
Reduced:	ClON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	18.95
Dipole, Da:	2.58
IP(EA), eV:	-9.19(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2-chlorophenyl)-4-oxopyrrolidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)CN1C2=CC=CC=C2Cl)C#N

DOS

IR

Vibrations