Geometry & MOs

Info

ID:	259755
PubChem CID:	103173691
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	339.02185
ΔH_f, kcal/mol:	-24.28
Dipole, Da:	7.22
IP(EA), eV:	-8.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[(3,4-dimethoxypyridin-2-yl)methyl]-6-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(C1=CN(C=C1)CC2=NC=CC(=C2OC)OC)N

DOS

IR

Vibrations