Geometry & MOs

Info

ID:	211011
PubChem CID:	80883804
Reduced:	Br2O2N3H9C11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	388.91975
ΔH_f, kcal/mol:	-1.43
Dipole, Da:	2.3
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1Br)OC2=NC=NC(=C2)N)Br

DOS

IR

Vibrations