Geometry & MOs

Info

ID:	232849
PubChem CID:	87577229
Reduced:	ClN3O6C23H30 (1)
Stoich.:	AB3C6D23E30 (1)
Weight, g/mol:	269.97524
ΔH_f, kcal/mol:	-221.8
Dipole, Da:	8.2
IP(EA), eV:	-10.19(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC(C1=NC=CN=C1)C(CC=C)(C2=CC=CC=C2)C(=O)O.C[C@@H](C(=O)O)N.C(=O)(O)Cl

DOS

IR

Vibrations