Geometry & MOs

Info

ID:	207327
PubChem CID:	80378263
Reduced:	SO3N5C12H19 (1)
Stoich.:	AB3C5D12E19 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-65.73
Dipole, Da:	3.23
IP(EA), eV:	-9.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCN(CC1)C(=O)C2=NNC(=N2)C3CC3

DOS

IR

Vibrations