Geometry & MOs

Info

ID:	36341
PubChem CID:	8001928
Reduced:	ClFN2O3H16C20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-60.56
Dipole, Da:	5.85
IP(EA), eV:	-8.94(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC(=C(C=C2)F)Cl)OCC=C

DOS

IR

Vibrations