Geometry & MOs

Info

ID:	250121
PubChem CID:	103094306
Reduced:	ClN3O3C9H10 (1)
Stoich.:	AB3C3D9E10 (1)
Weight, g/mol:	279.11384
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	5.44
IP(EA), eV:	-9.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloropyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NC(=O)C(CC(=O)O)N)Cl

DOS

IR

Vibrations