Geometry & MOs

Info

ID:	267820
PubChem CID:	103589690
Reduced:	BrO3N4H9C11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	352.0171
ΔH_f, kcal/mol:	24.71
Dipole, Da:	3.59
IP(EA), eV:	-9.32(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1OC2=CC(=CC(=C2)[N+](=O)[O-])Br)N

DOS

IR

Vibrations