Geometry & MOs

Info

ID:	137801
PubChem CID:	52264651
Reduced:	SN3O3H15C18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	327.113153
ΔH_f, kcal/mol:	-31.96
Dipole, Da:	6.91
IP(EA), eV:	-8.63(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-(2-methoxypyridin-3-yl)-5-methyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations