Geometry & MOs

Info

ID:	352424
PubChem CID:	127283512
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	390.206719
ΔH_f, kcal/mol:	-194.94
Dipole, Da:	3.42
IP(EA), eV:	-9.76(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]piperazine-2,3-dione

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C(=O)CCN2C(=O)C3CCCCC3C2=O)C

DOS

IR

Vibrations