Geometry & MOs

Info

ID:	127030
PubChem CID:	50988090
Reduced:	SN4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	222.070595
ΔH_f, kcal/mol:	23.07
Dipole, Da:	3.74
IP(EA), eV:	-8.44(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-aminoethyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione;hydrochloride

Drug info:

PubChemData

Smile

CC(C)N1C(=NNC1=S)C2CCNCC2

DOS

IR

Vibrations