Geometry & MOs

Info

ID:	329892
PubChem CID:	127246759
Reduced:	OF3N5C16H18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-130.25
Dipole, Da:	3.63
IP(EA), eV:	-8.71(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-methoxyphenyl)-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)CN3C=CC(=N3)C(F)(F)F

DOS

IR

Vibrations