Geometry & MOs

Info

ID:	81706
PubChem CID:	49855033
Reduced:	Cl2N4O4C51H80 (1)
Stoich.:	A2B4C4D51E80 (1)
Weight, g/mol:	797.466513
ΔH_f, kcal/mol:	-241.54
Dipole, Da:	8.01
IP(EA), eV:	-8.71(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxoquinolin-1-yl]methyl docosanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(=O)OCN1C(=O)C=CC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations