Geometry & MOs

Info

ID:	377801
PubChem CID:	134223866
Reduced:	ClNO5C24H28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	315.110673
ΔH_f, kcal/mol:	-182.37
Dipole, Da:	15.83
IP(EA), eV:	-9.31(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-hydroxy-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OCC4(CC4)COC

DOS

IR

Vibrations