Geometry & MOs

Info

ID:	136479
PubChem CID:	52048554
Reduced:	FO3N4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	482.232934
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	4.72
IP(EA), eV:	-8.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations