Geometry & MOs

Info

ID:	329870
PubChem CID:	127246737
Reduced:	SO2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-16.33
Dipole, Da:	0.9
IP(EA), eV:	-8.71(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations