Geometry & MOs

Info

ID:	154217
PubChem CID:	56313623
Reduced:	FN4O4C24H25 (1)
Stoich.:	AB4C4D24E25 (1)
Weight, g/mol:	431.125689
ΔH_f, kcal/mol:	-77.56
Dipole, Da:	3.46
IP(EA), eV:	-9.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=C(O1)C(=O)NNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations