Geometry & MOs

Info

ID:	81701
PubChem CID:	49855028
Reduced:	Cl2N3O6C30H37 (1)
Stoich.:	A2B3C6D30E37 (1)
Weight, g/mol:	661.268542
ΔH_f, kcal/mol:	-239.48
Dipole, Da:	7.12
IP(EA), eV:	-8.81(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptyl 2-acetyloxy-2-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations