Geometry & MOs

Info

ID:	353682
PubChem CID:	127285259
Reduced:	FSN4O4C17H23 (1)
Stoich.:	ABC4D4E17F23 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-184.82
Dipole, Da:	6.45
IP(EA), eV:	-9.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations