Geometry & MOs

Info

ID:	81512
PubChem CID:	49854811
Reduced:	ClN2O2C16H18 (2)
Stoich.:	AB2C2D16E18 (2)
Weight, g/mol:	577.211027
ΔH_f, kcal/mol:	-124.89
Dipole, Da:	7.91
IP(EA), eV:	-8.42(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl [7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl carbonate

Drug info:

PubChemData

Smile

C1CC(=O)N(C2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl)COC(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations