Geometry & MOs

Info

ID:	174519
PubChem CID:	75776347
Reduced:	FN4O4C26H31 (1)
Stoich.:	AB4C4D26E31 (1)
Weight, g/mol:	450.243104
ΔH_f, kcal/mol:	-120.83
Dipole, Da:	7.63
IP(EA), eV:	-8.33(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCCC(C3)C(=O)NCC4=C(C=C(C=C4)OC)OC)F

DOS

IR

Vibrations