Geometry & MOs

Info

ID:	267418
PubChem CID:	103582161
Reduced:	BrClN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	354.02469
ΔH_f, kcal/mol:	57.64
Dipole, Da:	2.6
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-bromo-3-chloropyridin-2-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CCCN)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations