Geometry & MOs

Info

ID:	259756
PubChem CID:	103173718
Reduced:	BrN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	339.02185
ΔH_f, kcal/mol:	-59.94
Dipole, Da:	6.28
IP(EA), eV:	-9.19(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[(3,4-dimethoxypyridin-2-yl)methyl]-2-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C=N1)CC2=NC=CC(=C2OC)OC)Br

DOS

IR

Vibrations