Geometry & MOs

Info

ID:	136486
PubChem CID:	52050174
Reduced:	FO2N5C29H30 (1)
Stoich.:	AB2C5D29E30 (1)
Weight, g/mol:	439.165582
ΔH_f, kcal/mol:	0.46
Dipole, Da:	2.54
IP(EA), eV:	-9.09(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 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

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H]2CCCN(C2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC=NC=C5)F

DOS

IR

Vibrations