Geometry & MOs

Info

ID:	14466
PubChem CID:	412173
Reduced:	SC5H5N5 (1)
Stoich.:	AB5C5D5 (1)
Weight, g/mol:	167.026566
ΔH_f, kcal/mol:	141.61
Dipole, Da:	6.75
IP(EA), eV:	-9.79(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methylsulfanyl-7aH-triazolo[4,5-d]pyrimidine

Drug info:

PubChemData

Smile

CSC1=NC=NC2=NN=NC21

DOS

IR

Vibrations