Geometry & MOs

Info

ID:	154064
PubChem CID:	56313449
Reduced:	FO3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	420.184921
ΔH_f, kcal/mol:	-88.8
Dipole, Da:	4.49
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations