Geometry & MOs

Info

ID:	153972
PubChem CID:	56313329
Reduced:	FO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	451.190734
ΔH_f, kcal/mol:	-98.03
Dipole, Da:	4.74
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations