Geometry & MOs

Info

ID:	329871
PubChem CID:	127246738
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	-74.26
Dipole, Da:	4.77
IP(EA), eV:	-8.8(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)COC3=CC=C(C=C3)F

DOS

IR

Vibrations