Geometry & MOs

Info

ID:	153905
PubChem CID:	56313241
Reduced:	F3N3O4C24H28 (1)
Stoich.:	A3B3C4D24E28 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-289.71
Dipole, Da:	4.08
IP(EA), eV:	-8.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2=CC=CC=C2N3CCC(CC3)C(=O)N)OCC(F)(F)F

DOS

IR

Vibrations