Geometry & MOs

Info

ID:	267419
PubChem CID:	103582162
Reduced:	BrClN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	357.00437
ΔH_f, kcal/mol:	64.0
Dipole, Da:	2.64
IP(EA), eV:	-8.61(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-bromo-3-chloropyridin-2-yl)-N'-(4-fluorophenyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations