Geometry & MOs

Info

ID:	267816
PubChem CID:	103589685
Reduced:	BrO4N5H8C10 (1)
Stoich.:	AB4C5D8E10 (1)
Weight, g/mol:	341.97638
ΔH_f, kcal/mol:	5.68
Dipole, Da:	5.21
IP(EA), eV:	-10.34(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-nitrophenoxy)-5-fluoro-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations