Geometry & MOs

Info

ID:	421655
PubChem CID:	135116385
Reduced:	OF2N7C15H21 (1)
Stoich.:	AB2C7D15E21 (1)
Weight, g/mol:	321.104418
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	2.86
IP(EA), eV:	-9.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-fluoro-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine

Drug info:

PubChemData

Smile

CCC1=NNC(=N1)CN2CCCN(CC2)C(=O)C3=NNC(=C3)C(F)F

DOS

IR

Vibrations