Geometry & MOs

Info

ID:	136507
PubChem CID:	52052600
Reduced:	O2F3N4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	450.243104
ΔH_f, kcal/mol:	-119.32
Dipole, Da:	5.73
IP(EA), eV:	-8.73(-0.82)
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-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)NCC4=C(C=C(C=C4)F)F)F

DOS

IR

Vibrations