Geometry & MOs

Info

ID:	154536
PubChem CID:	56313993
Reduced:	NO3F4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	419.16452
ΔH_f, kcal/mol:	-307.91
Dipole, Da:	5.27
IP(EA), eV:	-8.94(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(3-morpholin-4-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCC(CC2)CC3=CC(=CC=C3)F)OCC(F)(F)F

DOS

IR

Vibrations