Geometry & MOs

Info

ID:	377928
PubChem CID:	134223994
Reduced:	NO7C24H29 (1)
Stoich.:	AB7C24D29 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-258.37
Dipole, Da:	14.82
IP(EA), eV:	-9.03(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(COC)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)O[C@@H]4CCOC4

DOS

IR

Vibrations