Geometry & MOs

Info

ID:	267597
PubChem CID:	103582927
Reduced:	BrClON4C14H14 (1)
Stoich.:	ABCD4E14F14 (1)
Weight, g/mol:	339.01379
ΔH_f, kcal/mol:	7.74
Dipole, Da:	3.05
IP(EA), eV:	-8.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-aminophenyl)ethyl]-5-bromo-3-chloro-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN(CC(=O)N)C2=C(C=C(C=N2)Br)Cl)N

DOS

IR

Vibrations