Geometry & MOs

Info

ID:	267828
PubChem CID:	103589705
Reduced:	BrO4N6H9C10 (1)
Stoich.:	AB4C6D9E10 (1)
Weight, g/mol:	353.01235
ΔH_f, kcal/mol:	26.9
Dipole, Da:	5.51
IP(EA), eV:	-10.28(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)NN)OC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations