Geometry & MOs

Info

ID:	263232
PubChem CID:	103348159
Reduced:	BrNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	1.45
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(methoxymethyl)-2-(6-methoxypyridin-2-yl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)C(C2=C(C=CO2)Br)O

DOS

IR

Vibrations