Geometry & MOs

Info

ID:	153397
PubChem CID:	56312585
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	445.216555
ΔH_f, kcal/mol:	-98.11
Dipole, Da:	4.66
IP(EA), eV:	-9.34(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations