Geometry & MOs

Info

ID:	157132
PubChem CID:	56422172
Reduced:	FO2N3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	416.177917
ΔH_f, kcal/mol:	-44.22
Dipole, Da:	7.29
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyridin-2-yl)-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=O)C3=CC=C(C=C3)OC4=CN=CC=C4

DOS

IR

Vibrations