Geometry & MOs

Info

ID:	153689
PubChem CID:	56312982
Reduced:	F3N3O3C21H22 (1)
Stoich.:	A3B3C3D21E22 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	-219.59
Dipole, Da:	5.24
IP(EA), eV:	-8.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)CNC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations