Geometry & MOs

Info

ID:	267506
PubChem CID:	103582436
Reduced:	ClBr2N2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	327.97782
ΔH_f, kcal/mol:	56.71
Dipole, Da:	2.43
IP(EA), eV:	-8.97(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[1-(4-fluorophenyl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=C(C=C(C=N2)Br)Cl)Br

DOS

IR

Vibrations