Geometry & MOs

Info

ID:	154219
PubChem CID:	56313625
Reduced:	N2O3F6C20H20 (1)
Stoich.:	A2B3C6D20E20 (1)
Weight, g/mol:	489.206385
ΔH_f, kcal/mol:	-399.41
Dipole, Da:	5.11
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2=CC=CC=C2NCC(F)(F)F)OCC(F)(F)F

DOS

IR

Vibrations