Geometry & MOs

Info

ID:	153983
PubChem CID:	56313341
Reduced:	OF3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	354.174356
ΔH_f, kcal/mol:	-154.87
Dipole, Da:	3.79
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3-ethylpiperidin-1-yl)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NC2CCCN(C2)CC3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations