Geometry & MOs

Info

ID:	153563
PubChem CID:	56312811
Reduced:	OF3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	463.170748
ΔH_f, kcal/mol:	-155.45
Dipole, Da:	6.47
IP(EA), eV:	-8.09(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N(C)CC2=CC=C(C=C2)N3CCCCC3)C(F)(F)F

DOS

IR

Vibrations