Geometry & MOs

Info

ID:	136471
PubChem CID:	52046779
Reduced:	FO2N5C25H36 (1)
Stoich.:	AB2C5D25E36 (1)
Weight, g/mol:	490.201634
ΔH_f, kcal/mol:	-74.22
Dipole, Da:	2.01
IP(EA), eV:	-8.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-N,N-bis(prop-2-enyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1CCN(CC1)C(=O)[C@@H]2CCCN(C2)C3=C(C=C(C=C3)C4=NOC(=N4)C(C)C)F

DOS

IR

Vibrations