Geometry & MOs

Info

ID:	81767
PubChem CID:	49855122
Reduced:	Cl2N4O4C33H46 (1)
Stoich.:	A2B4C4D33E46 (1)
Weight, g/mol:	547.200462
ΔH_f, kcal/mol:	-180.8
Dipole, Da:	7.18
IP(EA), eV:	-8.55(-0.26)
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 2-methylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations