Geometry & MOs

Info

ID:	333465
PubChem CID:	127252017
Reduced:	ClON4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	347.179776
ΔH_f, kcal/mol:	39.29
Dipole, Da:	5.04
IP(EA), eV:	-8.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-5-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyridine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(C=C2)C3CCCCN3C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations