Geometry & MOs

Info

ID:	81704
PubChem CID:	49855031
Reduced:	Cl2N4O4C31H42 (1)
Stoich.:	A2B4C4D31E42 (1)
Weight, g/mol:	714.367862
ΔH_f, kcal/mol:	-168.63
Dipole, Da:	6.69
IP(EA), eV:	-8.6(-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-oxoquinolin-1-yl]methyl N-methyl-N-tridecylcarbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations