Geometry & MOs

Info

ID:	22797
PubChem CID:	598748
Reduced:	SN3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	171.083019
ΔH_f, kcal/mol:	25.49
Dipole, Da:	5.63
IP(EA), eV:	-8.92(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-propan-2-yl-1,2,4-triazole-3-thiol

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S)C(C)C

DOS

IR

Vibrations