Geometry & MOs

Info

ID:	19071
PubChem CID:	554205
Reduced:	OSC5H5N5 (1)
Stoich.:	ABC5D5E5 (1)
Weight, g/mol:	183.021481
ΔH_f, kcal/mol:	99.84
Dipole, Da:	3.6
IP(EA), eV:	-9.08(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-[1,2,5]oxadiazolo[3,4-d]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CSC1=NC2=NON=C2C(=N1)N

DOS

IR

Vibrations