Geometry & MOs

Info

ID:	295196
PubChem CID:	117521128
Reduced:	NO5H19C24 (1)
Stoich.:	AB5C19D24 (1)
Weight, g/mol:	206.061076
ΔH_f, kcal/mol:	-51.22
Dipole, Da:	7.17
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NOC(=C3)C(=O)O)OCC4=CC=CC=C4

DOS

IR

Vibrations