Geometry & MOs

Info

ID:	136508
PubChem CID:	52052899
Reduced:	FO2N4C26H31 (1)
Stoich.:	AB2C4D26E31 (1)
Weight, g/mol:	471.207053
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	4.32
IP(EA), eV:	-8.3(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)C)F

DOS

IR

Vibrations