Geometry & MOs

Info

ID:	152923
PubChem CID:	56312016
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	438.243104
ΔH_f, kcal/mol:	-24.84
Dipole, Da:	4.57
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations