Geometry & MOs

Info

ID:	267819
PubChem CID:	103589689
Reduced:	BrN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	323.9858
ΔH_f, kcal/mol:	15.04
Dipole, Da:	7.01
IP(EA), eV:	-8.88(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=CC(=CN=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations