Geometry & MOs

Info

ID:	80621
PubChem CID:	49835575
Reduced:	ClFO2N4C23H24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	414.129217
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	3.93
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=CC(=C(C=C2)Cl)C3=NC4=C(N3)C=C(C=C4)F)C(=O)N5CCOCC5

DOS

IR

Vibrations