Geometry & MOs

Info

ID:	174508
PubChem CID:	75775558
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	493.212533
ΔH_f, kcal/mol:	-15.09
Dipole, Da:	3.02
IP(EA), eV:	-8.46(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[2-fluoro-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CCCN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC=CC=C4)F

DOS

IR

Vibrations