Geometry & MOs

Info

ID:	377952
PubChem CID:	134224019
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	441.215138
ΔH_f, kcal/mol:	-229.37
Dipole, Da:	14.81
IP(EA), eV:	-8.97(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCCCC(=O)C

DOS

IR

Vibrations