Geometry & MOs

Info

ID:	183383
PubChem CID:	77015728
Reduced:	ClFN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	169.067369
ΔH_f, kcal/mol:	-32.64
Dipole, Da:	3.79
IP(EA), eV:	-8.48(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylbutan-2-ylidene)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC(C)C(C)C1C(C(NN1)N)C2=C(C=CC=C2Cl)F

DOS

IR

Vibrations