Geometry & MOs

Info

ID:	136478
PubChem CID:	52048455
Reduced:	ClFO2N4C24H26 (1)
Stoich.:	ABC2D4E24F26 (1)
Weight, g/mol:	452.222369
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	4.82
IP(EA), eV:	-8.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCC[C@@H](C3)C(=O)NCCC4=CC=C(C=C4)Cl)F

DOS

IR

Vibrations