Geometry & MOs

Info

ID:	295197
PubChem CID:	117521170
Reduced:	ClN2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	234.092376
ΔH_f, kcal/mol:	42.99
Dipole, Da:	4.03
IP(EA), eV:	-9.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chlorophenyl)ethyl]pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC(NC1)(C#N)C2=CC=CC=C2Cl

DOS

IR

Vibrations