Geometry & MOs

Info

ID:	267417
PubChem CID:	103582159
Reduced:	BrClN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	339.01379
ΔH_f, kcal/mol:	32.57
Dipole, Da:	2.82
IP(EA), eV:	-8.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCN(C1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations