Geometry & MOs

Info

ID:	267585
PubChem CID:	103582809
Reduced:	BrClN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	260.96684
ΔH_f, kcal/mol:	11.07
Dipole, Da:	1.72
IP(EA), eV:	-8.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-yl)-5-bromo-3-chloropyridin-2-amine

Drug info:

PubChemData

Smile

CCC1CNC(CN1C2=C(C=C(C=N2)Br)Cl)CC

DOS

IR

Vibrations