Geometry & MOs

Info

ID:	153377
PubChem CID:	56312565
Reduced:	F3O3N4C23H29 (1)
Stoich.:	A3B3C4D23E29 (1)
Weight, g/mol:	418.132885
ΔH_f, kcal/mol:	-233.53
Dipole, Da:	3.34
IP(EA), eV:	-8.49(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N,N-bis(furan-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations