Geometry & MOs

Info

ID:	154825
PubChem CID:	56314362
Reduced:	F3N3O4C22H28 (1)
Stoich.:	A3B3C4D22E28 (1)
Weight, g/mol:	445.18017
ΔH_f, kcal/mol:	-261.72
Dipole, Da:	3.55
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-benzoylpiperidin-4-yl)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations