Geometry & MOs

Info

ID:	267571
PubChem CID:	103582738
Reduced:	BrClN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	343.04509
ΔH_f, kcal/mol:	103.55
Dipole, Da:	4.43
IP(EA), eV:	-8.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-3-chloropyridin-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2)NC3=C(C=C(C=N3)Br)Cl

DOS

IR

Vibrations