Geometry & MOs

Info

ID:	207670
PubChem CID:	80435853
Reduced:	ION3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	326.00885
ΔH_f, kcal/mol:	-27.02
Dipole, Da:	8.61
IP(EA), eV:	-9.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=O)C(=C(N1)CC(C)C)I

DOS

IR

Vibrations