Geometry & MOs

Info

ID:	133783
PubChem CID:	51589083
Reduced:	OF2N4H21C24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	324.12224
ΔH_f, kcal/mol:	0.46
Dipole, Da:	7.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.801808
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[(3R)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC(=O)C=C(N2)C[NH+](CC3=CC=C(C=C3)F)CC4=CC=C(C=C4)F

DOS

IR

Vibrations