Geometry & MOs

Info

ID:	157250
PubChem CID:	56422452
Reduced:	FN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	333.104418
ΔH_f, kcal/mol:	-79.18
Dipole, Da:	5.49
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=O)/C=C/C3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations