Geometry & MOs

Info

ID:	267581
PubChem CID:	103582795
Reduced:	BrClON3C14H21 (1)
Stoich.:	ABCD3E14F21 (1)
Weight, g/mol:	317.02944
ΔH_f, kcal/mol:	-40.34
Dipole, Da:	2.1
IP(EA), eV:	-8.68(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1N)OCCCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations