Geometry & MOs

Info

ID:	153993
PubChem CID:	56313353
Reduced:	FO2N3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	463.170748
ΔH_f, kcal/mol:	-23.1
Dipole, Da:	3.9
IP(EA), eV:	-8.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations