Geometry & MOs

Info

ID:	130732
PubChem CID:	51097474
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	333.088019
ΔH_f, kcal/mol:	-129.92
Dipole, Da:	5.95
IP(EA), eV:	-9.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-hydroxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)NC(=O)CNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations