Geometry & MOs

Info

ID:	303868
PubChem CID:	124490510
Reduced:	FON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	238.030919
ΔH_f, kcal/mol:	-19.29
Dipole, Da:	2.59
IP(EA), eV:	-8.99(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations