Geometry & MOs

Info

ID:	267582
PubChem CID:	103582803
Reduced:	BrClN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	317.02944
ΔH_f, kcal/mol:	14.58
Dipole, Da:	2.84
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-bromo-3-chloropyridin-2-yl)-3-methylpiperidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC(C1CCCN(C1)C2=C(C=C(C=N2)Br)Cl)N

DOS

IR

Vibrations