Geometry & MOs

Info

ID:	196820
PubChem CID:	78883112
Reduced:	NF3O3C16H22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-284.32
Dipole, Da:	5.01
IP(EA), eV:	-8.53(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCCN(CC(F)(F)F)C(=O)CC1=C(C=CC(=C1)OC)OC

DOS

IR

Vibrations