Geometry & MOs

Info

ID:	377943
PubChem CID:	134224010
Reduced:	NCl3O3H12C22 (1)
Stoich.:	AB3C3D12E22 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-49.26
Dipole, Da:	4.36
IP(EA), eV:	-9.45(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=C(N(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)O)Cl

DOS

IR

Vibrations