Geometry & MOs

Info

ID:	320248
PubChem CID:	126658974
Reduced:	Cl2N3O3C33H45 (1)
Stoich.:	A2B3C3D33E45 (1)
Weight, g/mol:	575.231762
ΔH_f, kcal/mol:	-142.58
Dipole, Da:	4.87
IP(EA), eV:	-8.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylpentan-2-yl 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations