Geometry & MOs

Info

ID:	21685
PubChem CID:	589529
Reduced:	BrO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	294.99564
ΔH_f, kcal/mol:	-56.57
Dipole, Da:	8.12
IP(EA), eV:	-9.34(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-bromo-1-(3-methylphenyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=O)Br)N

DOS

IR

Vibrations