Geometry & MOs

Info

ID:	333416
PubChem CID:	127251968
Reduced:	NC8H9 (3)
Stoich.:	AB8C9 (3)
Weight, g/mol:	361.195426
ΔH_f, kcal/mol:	66.41
Dipole, Da:	3.23
IP(EA), eV:	-9.05(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=NC=C(C=C2)C3CCCCN3CC4=CN=CC=C4

DOS

IR

Vibrations