Geometry & MOs

Info

ID:	267803
PubChem CID:	103589659
Reduced:	BrClO3N5H7C10 (1)
Stoich.:	ABC3D5E7F10 (1)
Weight, g/mol:	352.0171
ΔH_f, kcal/mol:	43.84
Dipole, Da:	6.81
IP(EA), eV:	-10.18(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromo-5-nitrophenoxy)-2-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations