Geometry & MOs

Info

ID:	81700
PubChem CID:	49855027
Reduced:	Cl2N3O6C27H31 (1)
Stoich.:	A2B3C6D27E31 (1)
Weight, g/mol:	605.205941
ΔH_f, kcal/mol:	-229.09
Dipole, Da:	9.67
IP(EA), eV:	-8.6(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 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

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

DOS

IR

Vibrations