Geometry & MOs

Info

ID:	167739
PubChem CID:	74867335
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	190.007995
ΔH_f, kcal/mol:	16.08
Dipole, Da:	3.31
IP(EA), eV:	-8.4(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloroprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-amine

Drug info:

PubChemData

Smile

C1CCCN(CCC1)C2=NC=C(C=C2)C(=NO)N

DOS

IR

Vibrations