Geometry & MOs

Info

ID:	267435
PubChem CID:	103582209
Reduced:	BrClN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	303.01379
ΔH_f, kcal/mol:	21.85
Dipole, Da:	4.42
IP(EA), eV:	-8.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=N2)Br)Cl)CN

DOS

IR

Vibrations