Geometry & MOs

Info

ID:	267579
PubChem CID:	103582754
Reduced:	BrClN3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	276.99814
ΔH_f, kcal/mol:	26.62
Dipole, Da:	3.57
IP(EA), eV:	-8.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(5-bromo-3-chloropyridin-2-yl)butane-1,3-diamine

Drug info:

PubChemData

Smile

CNCCNC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations