Geometry & MOs

Info

ID:	248761
PubChem CID:	103084162
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	-3.93
Dipole, Da:	8.83
IP(EA), eV:	-9.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-6-[(2-methoxyethylamino)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=O)C=C(N2)CNC(C)C

DOS

IR

Vibrations