Geometry & MOs

Info

ID:	136511
PubChem CID:	52053591
Reduced:	FO2N5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	464.165997
ΔH_f, kcal/mol:	9.25
Dipole, Da:	5.5
IP(EA), eV:	-8.53(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CN=CC=C5)F

DOS

IR

Vibrations