Geometry & MOs

Info

ID:	3263
PubChem CID:	9412
Reduced:	BrN2O2C8H11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	246.00039
ΔH_f, kcal/mol:	-96.3
Dipole, Da:	4.19
IP(EA), eV:	-9.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)N1)C(C)C)Br

DOS

IR

Vibrations