Geometry & MOs

Info

ID:	153289
PubChem CID:	56312467
Reduced:	N2F3O3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	461.21147
ΔH_f, kcal/mol:	-204.7
Dipole, Da:	5.23
IP(EA), eV:	-8.55(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2=NC=C(C=C2)C3=CC=CC=C3)OCC(F)(F)F

DOS

IR

Vibrations