Geometry & MOs

Info

ID:	267591
PubChem CID:	103582898
Reduced:	BrClN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	317.02944
ΔH_f, kcal/mol:	27.3
Dipole, Da:	1.88
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-bromo-3-chloropyridin-2-yl)-4-methylpiperidin-3-yl]methanamine

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations