Geometry & MOs

Info

ID:	81614
PubChem CID:	49854925
Reduced:	Cl2N3O5C28H35 (1)
Stoich.:	A2B3C5D28E35 (1)
Weight, g/mol:	561.216112
ΔH_f, kcal/mol:	-196.02
Dipole, Da:	3.3
IP(EA), eV:	-8.72(-0.38)
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 2-methylbutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations