Geometry & MOs

Info

ID:	184171
PubChem CID:	77123920
Reduced:	ION3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	290.00885
ΔH_f, kcal/mol:	42.85
Dipole, Da:	5.18
IP(EA), eV:	-10.15(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-methyl-2-(2-methylpropylsulfanylmethyl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1I)CC2=CC=NC=C2

DOS

IR

Vibrations