Geometry & MOs

Info

ID:	7540
PubChem CID:	73276
Reduced:	BrN2O2C5H5 (1)
Stoich.:	AB2C2D5E5 (1)
Weight, g/mol:	203.95344
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	5.21
IP(EA), eV:	-9.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C=C(C(=O)NC1=O)Br

DOS

IR

Vibrations