Geometry & MOs

Info

ID:	152569
PubChem CID:	56311529
Reduced:	SN4O4C25H34 (1)
Stoich.:	AB4C4D25E34 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-140.57
Dipole, Da:	3.56
IP(EA), eV:	-9.22(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations