Geometry & MOs

Info

ID:	19637
PubChem CID:	569465
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-62.94
Dipole, Da:	4.53
IP(EA), eV:	-9.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-hydroxypiperidin-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(=O)C(=CC2=CN=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations