Geometry & MOs

Info

ID:	303869
PubChem CID:	124490512
Reduced:	ClFON2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	2.65
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations