Geometry & MOs

Info

ID:	22520
PubChem CID:	597410
Reduced:	SC5H5N5 (1)
Stoich.:	AB5C5D5 (1)
Weight, g/mol:	167.026566
ΔH_f, kcal/mol:	115.86
Dipole, Da:	5.38
IP(EA), eV:	-9.62(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine-4-thiol

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=N1)S

DOS

IR

Vibrations