Geometry & MOs

Info

ID:	377951
PubChem CID:	134224018
Reduced:	NCl2O3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-73.79
Dipole, Da:	1.75
IP(EA), eV:	-9.34(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxy-2-oxo-9-(4-oxopentoxy)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations