Geometry & MOs

Info

ID:	206373
PubChem CID:	80240864
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	253.07074
ΔH_f, kcal/mol:	-46.65
Dipole, Da:	3.63
IP(EA), eV:	-8.3(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methylthiophen-2-yl)methyl]-3-propyl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC(C1=COC=C1)NC2=CC=C(C=C2)CCO

DOS

IR

Vibrations