Geometry & MOs

Info

ID:	267834
PubChem CID:	103589715
Reduced:	BrO3N5H8C10 (1)
Stoich.:	AB3C5D8E10 (1)
Weight, g/mol:	353.01235
ΔH_f, kcal/mol:	57.13
Dipole, Da:	2.86
IP(EA), eV:	-9.44(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations