Geometry & MOs

Info

ID:	303871
PubChem CID:	124490515
Reduced:	ClON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	19.22
Dipole, Da:	5.06
IP(EA), eV:	-9.25(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations