Geometry & MOs

Info

ID:	10386
PubChem CID:	101400
Reduced:	OSN4C7H8 (1)
Stoich.:	ABC4D7E8 (1)
Weight, g/mol:	196.041882
ΔH_f, kcal/mol:	33.9
Dipole, Da:	3.09
IP(EA), eV:	-9.37(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)N=C(N2)SC

DOS

IR

Vibrations