Geometry & MOs

Info

ID:	205304
PubChem CID:	80084057
Reduced:	BrClON2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	356.98797
ΔH_f, kcal/mol:	39.08
Dipole, Da:	6.35
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-bromo-4-chloroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C(C#N)NC3=CC(=C(C=C3)Cl)Br

DOS

IR

Vibrations