Geometry & MOs

Info

ID:	80651
PubChem CID:	49835740
Reduced:	FON2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	408.139782
ΔH_f, kcal/mol:	-71.7
Dipole, Da:	4.06
IP(EA), eV:	-9.61(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-difluorophenyl)-5-[1-(oxan-4-yl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)CN1C(=C(C=N1)C2=NC(=NO2)C3=C(C=CC(=C3)F)F)C4CCOCC4

DOS

IR

Vibrations