Geometry & MOs

Info

ID:	156628
PubChem CID:	56371404
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	347.203134
ΔH_f, kcal/mol:	-40.74
Dipole, Da:	5.11
IP(EA), eV:	-8.33(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-tert-butylphenoxy)propylsulfanyl]-4-methyl-5-propan-2-yl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)C)NC(=O)N2CCCC2C3=NC4=CC=CC=C4N3CC

DOS

IR

Vibrations