Geometry & MOs

Info

ID:	266988
PubChem CID:	103580315
Reduced:	BrClON2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	329.02944
ΔH_f, kcal/mol:	-45.64
Dipole, Da:	1.68
IP(EA), eV:	-8.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-3-chloropyridin-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

CCCC(CCO)CNC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations