Geometry & MOs

Info

ID:	267482
PubChem CID:	103582352
Reduced:	BrClFN2H11C13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	353.02944
ΔH_f, kcal/mol:	-2.58
Dipole, Da:	2.19
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC2=C(C=C(C=N2)Br)Cl)F

DOS

IR

Vibrations