Geometry & MOs

Info

ID:	267817
PubChem CID:	103589686
Reduced:	BrFO3N4H8C11 (1)
Stoich.:	ABC3D4E8F11 (1)
Weight, g/mol:	353.99637
ΔH_f, kcal/mol:	-7.53
Dipole, Da:	2.44
IP(EA), eV:	-9.39(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromo-5-nitrophenoxy)-5-methoxy-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br)F

DOS

IR

Vibrations