Geometry & MOs

Info

ID:	267822
PubChem CID:	103589696
Reduced:	BrCl2N3O3H6C11 (1)
Stoich.:	AB2C3D3E6F11 (1)
Weight, g/mol:	354.95523
ΔH_f, kcal/mol:	7.42
Dipole, Da:	3.53
IP(EA), eV:	-9.04(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromo-5-nitrophenoxy)-5-nitropyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OC2=C(C=C(C(=N2)N)Cl)Cl)Br)[N+](=O)[O-]

DOS

IR

Vibrations