Geometry & MOs

Info

ID:	81702
PubChem CID:	49855029
Reduced:	Cl2N3O6C34H45 (1)
Stoich.:	A2B3C6D34E45 (1)
Weight, g/mol:	548.195711
ΔH_f, kcal/mol:	-259.65
Dipole, Da:	4.91
IP(EA), eV:	-8.45(-0.17)
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 N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CCCCCCCOC(=O)C(N1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl)OC(=O)C

DOS

IR

Vibrations