Geometry & MOs

Info

ID:	267812
PubChem CID:	103589674
Reduced:	BrN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	338.00145
ΔH_f, kcal/mol:	13.65
Dipole, Da:	2.87
IP(EA), eV:	-8.97(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromo-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations