Geometry & MOs

Info

ID:	267569
PubChem CID:	103582736
Reduced:	BrClON4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	317.02944
ΔH_f, kcal/mol:	-8.9
Dipole, Da:	5.44
IP(EA), eV:	-8.52(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=C(C=C(C=N2)Br)Cl)C(=O)N3CCNCC3

DOS

IR

Vibrations