Geometry & MOs

Info

ID:	267831
PubChem CID:	103589711
Reduced:	BrFO3N5H7C10 (1)
Stoich.:	ABC3D5E7F10 (1)
Weight, g/mol:	353.01235
ΔH_f, kcal/mol:	13.83
Dipole, Da:	3.49
IP(EA), eV:	-9.69(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OC2=NC(=NC=C2F)NN)Br)[N+](=O)[O-]

DOS

IR

Vibrations