Geometry & MOs

Info

ID:	377925
PubChem CID:	134223991
Reduced:	NO7C26H33 (1)
Stoich.:	AB7C26D33 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-259.93
Dipole, Da:	11.15
IP(EA), eV:	-8.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)O[C@@H]4CCOC4)C(C)(C)COC

DOS

IR

Vibrations