Geometry & MOs

Info

ID:	333472
PubChem CID:	127252024
Reduced:	ON3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	39.85
Dipole, Da:	3.33
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC=C(C=C2)C3CCCCN3CC4=CC=CC=N4

DOS

IR

Vibrations