Geometry & MOs

Info

ID:	267587
PubChem CID:	103582828
Reduced:	BrClN3C9H11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	345.06074
ΔH_f, kcal/mol:	52.01
Dipole, Da:	2.4
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CN(C1CNC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations