Geometry & MOs

Info

ID:	28926
PubChem CID:	830716
Reduced:	BrO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-67.53
Dipole, Da:	4.09
IP(EA), eV:	-9.67(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-(4-methylphenyl)-2-propyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations