Geometry & MOs

Info

ID:	80652
PubChem CID:	49835741
Reduced:	FON2H9C11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	421.171417
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	4.71
IP(EA), eV:	-9.65(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-difluorophenyl)-5-[1-(2-methylcyclohexyl)-5-pyridin-4-ylpyrazol-4-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1COCCC1N2C(=C(C=N2)C3=NC(=NO3)C4=C(C=CC(=C4)F)F)C5=CC=CC=C5

DOS

IR

Vibrations