Geometry & MOs

Info

ID:	303872
PubChem CID:	124490517
Reduced:	ClON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	250.050905
ΔH_f, kcal/mol:	17.45
Dipole, Da:	4.07
IP(EA), eV:	-9.08(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(3-chloro-4-methoxyphenyl)-4-oxopyrrolidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1[C@H](C(=O)CN1C2=CC(=CC=C2)Cl)C#N

DOS

IR

Vibrations