Geometry & MOs

Info

ID:	377754
PubChem CID:	134223819
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-229.31
Dipole, Da:	14.85
IP(EA), eV:	-8.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCCCC(=O)C

DOS

IR

Vibrations