Geometry & MOs

Info

ID:	179662
PubChem CID:	76518305
Reduced:	ON7H19C20 (1)
Stoich.:	AB7C19D20 (1)
Weight, g/mol:	376.144787
ΔH_f, kcal/mol:	118.76
Dipole, Da:	4.62
IP(EA), eV:	-8.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-fluorophenyl)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(NN4)C(C5=CC=CC=C5)O)N=C2

DOS

IR

Vibrations