Geometry & MOs

Info

ID:	267586
PubChem CID:	103582827
Reduced:	BrClN3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	274.98249
ΔH_f, kcal/mol:	45.15
Dipole, Da:	1.9
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-yl)-5-bromo-3-chloro-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

C1C(CN1)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations