Geometry & MOs

Info

ID:	136472
PubChem CID:	52048063
Reduced:	FN4O4C27H27 (1)
Stoich.:	AB4C4D27E27 (1)
Weight, g/mol:	490.201634
ΔH_f, kcal/mol:	-45.61
Dipole, Da:	3.17
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-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

C=CCN(CC=C)C(=O)[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC5=C(C=C4)OCO5)F

DOS

IR

Vibrations