Geometry & MOs

Info

ID:	324386
PubChem CID:	126677559
Reduced:	IN3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	217.07074
ΔH_f, kcal/mol:	45.71
Dipole, Da:	5.25
IP(EA), eV:	-10.12(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-sulfanylethyl)triazol-4-yl]butane-1-thiol

Drug info:

PubChemData

Smile

CCCCCCC1=CN=NN1CI

DOS

IR

Vibrations