Geometry & MOs

Info

ID:	267826
PubChem CID:	103589703
Reduced:	BrO3N5H8C10 (1)
Stoich.:	AB3C5D8E10 (1)
Weight, g/mol:	370.96877
ΔH_f, kcal/mol:	51.94
Dipole, Da:	5.57
IP(EA), eV:	-9.94(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3-bromo-5-nitrophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OC2=NC=NC(=C2)NN)Br)[N+](=O)[O-]

DOS

IR

Vibrations