Geometry & MOs

Info

ID:	80522
PubChem CID:	49834918
Reduced:	ON7H19C21 (1)
Stoich.:	AB7C19D21 (1)
Weight, g/mol:	423.136511
ΔH_f, kcal/mol:	148.01
Dipole, Da:	3.73
IP(EA), eV:	-9.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(3-methylsulfonylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)CN1C(=C(C=N1)C2=NC(=NO2)C3=CC4=C(C=C3)NN=C4)C5=CC=NC=C5

DOS

IR

Vibrations