Geometry & MOs

Info

ID:	81615
PubChem CID:	49854926
Reduced:	Cl2N3O4C29H37 (1)
Stoich.:	A2B3C4D29E37 (1)
Weight, g/mol:	575.231762
ΔH_f, kcal/mol:	-166.61
Dipole, Da:	5.54
IP(EA), eV:	-8.64(-0.51)
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 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations