Geometry & MOs

Info

ID:	142336
PubChem CID:	53018847
Reduced:	ON3H10C11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	405.127089
ΔH_f, kcal/mol:	80.34
Dipole, Da:	7.73
IP(EA), eV:	-8.91(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-5-(1-methyl-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C2=C(CN(CC2)C(=O)NC3=CC=CC=C3)C(=N1)C4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations