Geometry & MOs

Info

ID:	179663
PubChem CID:	76518306
Reduced:	FON6H17C20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	394.135365
ΔH_f, kcal/mol:	80.33
Dipole, Da:	1.35
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3-difluorophenyl)methyl]-5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,3-dihydro-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC3=C(NC=C3C4=NC(NO4)CC5=CC=CC=C5F)N=C2

DOS

IR

Vibrations