Geometry & MOs

Info

ID:	196975
PubChem CID:	78903787
Reduced:	OSN3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	21.16
Dipole, Da:	6.32
IP(EA), eV:	-8.33(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-butoxyethylsulfanyl)-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCCOCCSC1=NN=C(N1CC=C)C2=CC=CC(=C2)C

DOS

IR

Vibrations