Geometry & MOs

Info

ID:	333467
PubChem CID:	127252019
Reduced:	FN3C22H22 (1)
Stoich.:	AB3C22D22 (1)
Weight, g/mol:	347.179776
ΔH_f, kcal/mol:	32.87
Dipole, Da:	3.07
IP(EA), eV:	-9.11(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)C3=CC=C(C=C3)F)CC4=CN=CC=C4

DOS

IR

Vibrations