Geometry & MOs

Info

ID:	201399
PubChem CID:	79534434
Reduced:	BrN3O3C10H14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	315.94143
ΔH_f, kcal/mol:	-33.13
Dipole, Da:	8.75
IP(EA), eV:	-9.54(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(2-chloro-4-fluorophenoxy)pyridin-3-amine

Drug info:

PubChemData

Smile

CCOCC(C)NC1=C(C=C(C=N1)[N+](=O)[O-])Br

DOS

IR

Vibrations