Geometry & MOs

Info

ID:	398976
PubChem CID:	135036723
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	258.00039
ΔH_f, kcal/mol:	-131.65
Dipole, Da:	2.33
IP(EA), eV:	-10.39(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-oxopropyl)-5,6-dimethylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=O)OC[C@@]1([C@@]2(O1)CC(=O)C=C2)C

DOS

IR

Vibrations