Geometry & MOs

Info

ID:	154613
PubChem CID:	56314085
Reduced:	N2F3O4C23H29 (1)
Stoich.:	A2B3C4D23E29 (1)
Weight, g/mol:	421.160183
ΔH_f, kcal/mol:	-283.02
Dipole, Da:	5.91
IP(EA), eV:	-8.69(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)CCC1=CC(=C(C=C1)OCC(F)(F)F)OC)C2=CC=CC=C2OC

DOS

IR

Vibrations