Geometry & MOs

Info

ID:	247005
PubChem CID:	103066313
Reduced:	ClOSC8H15 (1)
Stoich.:	ABCD8E15 (1)
Weight, g/mol:	203.028396
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	2.91
IP(EA), eV:	-8.71(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(chloromethyl)prop-2-enylsulfanyl]-1-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

COCCCSCC(=C)CCl

DOS

IR

Vibrations