Geometry & MOs

Info

ID:	136510
PubChem CID:	52053473
Reduced:	FO3N5C29H30 (1)
Stoich.:	AB3C5D29E30 (1)
Weight, g/mol:	471.207053
ΔH_f, kcal/mol:	-36.35
Dipole, Da:	4.66
IP(EA), eV:	-8.29(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC=CC=N5)F

DOS

IR

Vibrations