Geometry & MOs

Info

ID:	267583
PubChem CID:	103582804
Reduced:	BrClN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	317.02944
ΔH_f, kcal/mol:	16.16
Dipole, Da:	2.48
IP(EA), eV:	-8.48(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-bromo-3-chloropyridin-2-yl)piperidin-4-yl]ethanamine

Drug info:

PubChemData

Smile

CC1CCCN(C1CN)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations