Geometry & MOs

Info

ID:	196974
PubChem CID:	78903786
Reduced:	NOS2C11H21 (1)
Stoich.:	ABC2D11E21 (1)
Weight, g/mol:	331.171834
ΔH_f, kcal/mol:	-52.51
Dipole, Da:	4.58
IP(EA), eV:	-8.3(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-butoxyethylsulfanyl)-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCCOCCSC(=S)N1CCCC1

DOS

IR

Vibrations