Geometry & MOs

Info

ID:	323144
PubChem CID:	126672897
Reduced:	SO3N5H19C21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	207.075625
ΔH_f, kcal/mol:	36.37
Dipole, Da:	2.28
IP(EA), eV:	-8.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-oxido-3,10-dihydro-1H-purino[7,5-a]imidazol-4-ium-2-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CN=C3N2N=C(S3)N(C)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations