Geometry & MOs

Info

ID:	207324
PubChem CID:	80378077
Reduced:	SO3N4C13H20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-94.2
Dipole, Da:	7.97
IP(EA), eV:	-8.85(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylamino)phenyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)C(=O)N2CCSCC2C(=O)OCC

DOS

IR

Vibrations