Geometry & MOs

Info

ID:	153568
PubChem CID:	56312817
Reduced:	NF2O2C12H13 (2)
Stoich.:	AB2C2D12E13 (2)
Weight, g/mol:	452.222369
ΔH_f, kcal/mol:	-323.66
Dipole, Da:	4.52
IP(EA), eV:	-8.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC)F

DOS

IR

Vibrations