Geometry & MOs

Info

ID:	3262
PubChem CID:	9411
Reduced:	BrN2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	260.01604
ΔH_f, kcal/mol:	-100.05
Dipole, Da:	3.96
IP(EA), eV:	-9.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC(C)N1C(=O)C(=C(NC1=O)C)Br

DOS

IR

Vibrations