Geometry & MOs

Info

ID:	192811
PubChem CID:	78315282
Reduced:	ON6C9H12 (1)
Stoich.:	AB6C9D12 (1)
Weight, g/mol:	422.05897
ΔH_f, kcal/mol:	86.31
Dipole, Da:	6.65
IP(EA), eV:	-9.95(-2.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(6-bromo-1,3-benzodioxol-5-yl)-3-butyl-7-methyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1CCN(CC1)C2NC(=O)C3=NN=NC3=N2

DOS

IR

Vibrations