Geometry & MOs

Info

ID:	54826
PubChem CID:	17389360
Reduced:	SN4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	378.187818
ΔH_f, kcal/mol:	84.33
Dipole, Da:	4.47
IP(EA), eV:	-8.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCC4

DOS

IR

Vibrations