Geometry & MOs

Info

ID:	333491
PubChem CID:	127252043
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	11.6
Dipole, Da:	7.07
IP(EA), eV:	-9.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)C3=CC=C(C=C3)C(=O)N)C(=O)C4=CC=NN4

DOS

IR

Vibrations