Geometry & MOs

Info

ID:	267588
PubChem CID:	103582846
Reduced:	BrClN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	315.01379
ΔH_f, kcal/mol:	10.44
Dipole, Da:	2.04
IP(EA), eV:	-8.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(CC1CCNCC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations