Geometry & MOs

Info

ID:	333413
PubChem CID:	127251965
Reduced:	FN3C23H24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	361.195426
ΔH_f, kcal/mol:	25.22
Dipole, Da:	4.39
IP(EA), eV:	-9.15(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)CC3=CC=C(C=C3)F)CC4=CC=NC=C4

DOS

IR

Vibrations