Geometry & MOs

Info

ID:	153587
PubChem CID:	56312842
Reduced:	F3N3O4C24H34 (1)
Stoich.:	A3B3C4D24E34 (1)
Weight, g/mol:	432.196154
ΔH_f, kcal/mol:	-323.69
Dipole, Da:	4.67
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations