Geometry & MOs

Info

ID:	153903
PubChem CID:	56313239
Reduced:	F3N3O3C20H26 (1)
Stoich.:	A3B3C3D20E26 (1)
Weight, g/mol:	461.21147
ΔH_f, kcal/mol:	-254.02
Dipole, Da:	6.1
IP(EA), eV:	-8.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(C)NC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations