Geometry & MOs

Info

ID:	127028
PubChem CID:	50988070
Reduced:	NCl2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	262.101896
ΔH_f, kcal/mol:	-5.74
Dipole, Da:	2.71
IP(EA), eV:	-9.28(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-4-yl-4-propan-2-yl-1H-1,2,4-triazole-5-thione;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(CN)C1=C(C=CC=C1Cl)Cl

DOS

IR

Vibrations