Geometry & MOs

Info

ID:	153482
PubChem CID:	56312705
Reduced:	FNO2H10C12 (2)
Stoich.:	ABC2D10E12 (2)
Weight, g/mol:	432.196154
ΔH_f, kcal/mol:	-154.36
Dipole, Da:	4.78
IP(EA), eV:	-9.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[(6-piperidin-1-ylpyridin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)F)CCNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F)OCO1

DOS

IR

Vibrations