Geometry & MOs

Info

ID:	191939
PubChem CID:	78205961
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	324.161997
ΔH_f, kcal/mol:	17.62
Dipole, Da:	7.03
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-(3-methylbutylsulfanyl)-7-(2-methylprop-2-enyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2CC(NN2)C(=O)NN=CC3=CC=CC=N3

DOS

IR

Vibrations