Geometry & MOs

Info

ID:	136512
PubChem CID:	52054099
Reduced:	F2O3N4H22C25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	441.161246
ΔH_f, kcal/mol:	-71.35
Dipole, Da:	3.67
IP(EA), eV:	-8.65(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC=CO2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC=C(C=C5)F)F

DOS

IR

Vibrations