Geometry & MOs

Info

ID:	152547
PubChem CID:	56311503
Reduced:	SO2N6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	438.243104
ΔH_f, kcal/mol:	21.3
Dipole, Da:	2.77
IP(EA), eV:	-9.15(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=C4N3C5=C(C(=O)N4C)SC=C5

DOS

IR

Vibrations