Geometry & MOs

Info

ID:	267507
PubChem CID:	103582454
Reduced:	BrClFN2H11C13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	343.94827
ΔH_f, kcal/mol:	-4.32
Dipole, Da:	1.78
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations