Geometry & MOs

Info

ID:	81612
PubChem CID:	49854923
Reduced:	Cl2N3O4C26H31 (1)
Stoich.:	A2B3C4D26E31 (1)
Weight, g/mol:	547.200462
ΔH_f, kcal/mol:	-149.2
Dipole, Da:	5.9
IP(EA), eV:	-8.69(-0.48)
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 butanoate

Drug info:

PubChemData

Smile

CC(=O)OCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations