Geometry & MOs

Info

ID:	153467
PubChem CID:	56312684
Reduced:	FN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	445.216555
ΔH_f, kcal/mol:	-58.48
Dipole, Da:	3.94
IP(EA), eV:	-8.49(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations