Geometry & MOs

Info

ID:	314779
PubChem CID:	126623060
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	-61.76
Dipole, Da:	3.7
IP(EA), eV:	-9.07(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromopyridin-2-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)N=CC(=C2)C3=CC4=C(C=C3)N(C=C4C(=O)N)CC(=O)O

DOS

IR

Vibrations