Geometry & MOs

Info

ID:	81769
PubChem CID:	49855125
Reduced:	Cl2N3O4C30H37 (1)
Stoich.:	A2B3C4D30E37 (1)
Weight, g/mol:	559.200462
ΔH_f, kcal/mol:	-157.74
Dipole, Da:	7.43
IP(EA), eV:	-8.71(-0.56)
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 cyclobutanecarboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)OCN2C(=O)CCC3=C2C=C(C=C3)OCCCCN4CCN(CC4)C5=C(C(=CC=C5)Cl)Cl

DOS

IR

Vibrations