Geometry & MOs

Info

ID:	80650
PubChem CID:	49835737
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	388.171082
ΔH_f, kcal/mol:	-28.82
Dipole, Da:	3.96
IP(EA), eV:	-8.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCC(=O)N/N=C/C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations