Geometry & MOs

Info

ID:	154819
PubChem CID:	56314350
Reduced:	F3N3O3H18C19 (1)
Stoich.:	A3B3C3D18E19 (1)
Weight, g/mol:	435.159434
ΔH_f, kcal/mol:	-180.48
Dipole, Da:	3.07
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NN2C=NC3=CC=CC=C32)OCC(F)(F)F

DOS

IR

Vibrations