Geometry & MOs

Info

ID:	136488
PubChem CID:	52050176
Reduced:	FO4N5C22H22 (1)
Stoich.:	AB4C5D22E22 (1)
Weight, g/mol:	453.181232
ΔH_f, kcal/mol:	-91.18
Dipole, Da:	1.94
IP(EA), eV:	-9.42(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(3R)-1-[2-fluoro-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)[C@H]1CCCN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC=NC=C4)F

DOS

IR

Vibrations