Geometry & MOs

Info

ID:	253655
PubChem CID:	103119796
Reduced:	SN5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	289.099731
ΔH_f, kcal/mol:	78.94
Dipole, Da:	8.56
IP(EA), eV:	-8.26(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyethyl)-3-(1-methylindazol-3-yl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCCN1C(=NNC1=S)C2=NN(C=C2)C

DOS

IR

Vibrations