Geometry & MOs

Info

ID:	154623
PubChem CID:	56314099
Reduced:	SN2F3O3C21H21 (1)
Stoich.:	AB2C3D3E21F21 (1)
Weight, g/mol:	418.169271
ΔH_f, kcal/mol:	-215.78
Dipole, Da:	2.52
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(CC1=NC2=CC=CC=C2S1)C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations