Geometry & MOs

Info

ID:	27185
PubChem CID:	819097
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	254.083747
ΔH_f, kcal/mol:	-36.77
Dipole, Da:	3.91
IP(EA), eV:	-8.67(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-methylsulfanyl-7-propan-2-ylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)ON=C2CCCC2

DOS

IR

Vibrations