Geometry & MOs

Info

ID:	154421
PubChem CID:	56313856
Reduced:	F3O3N4C21H27 (1)
Stoich.:	A3B3C4D21E27 (1)
Weight, g/mol:	405.185255
ΔH_f, kcal/mol:	-262.2
Dipole, Da:	5.29
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(N-methylanilino)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NC2=CC=CC(=C2)CN(C)C(=O)OC(C)(C)C)C(F)(F)F

DOS

IR

Vibrations