Geometry & MOs

Info

ID:	131703
PubChem CID:	51248121
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	379.144453
ΔH_f, kcal/mol:	25.21
Dipole, Da:	4.92
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CCC(=O)NC1=C(C=CS1)C#N)C2=CC=CC=C2

DOS

IR

Vibrations