Geometry & MOs

Info

ID:	81611
PubChem CID:	49854922
Reduced:	SN4O4C28H28 (1)
Stoich.:	AB4C4D28E28 (1)
Weight, g/mol:	519.169162
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	11.22
IP(EA), eV:	-8.07(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations