Geometry & MOs

Info

ID:	154078
PubChem CID:	56313465
Reduced:	FN3O3H22C26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	427.22712
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	4.7
IP(EA), eV:	-9.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=NC5=CC=CC=C5O4

DOS

IR

Vibrations