Geometry & MOs

Info

ID:	56509
PubChem CID:	17436004
Reduced:	FSN3O4C26H28 (1)
Stoich.:	ABC3D4E26F28 (1)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-120.85
Dipole, Da:	7.89
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NCC4=CC=CO4)F

DOS

IR

Vibrations