Geometry & MOs

Info

ID:	378042
PubChem CID:	134224111
Reduced:	NO7C22H27 (1)
Stoich.:	AB7C22D27 (1)
Weight, g/mol:	413.220223
ΔH_f, kcal/mol:	-263.07
Dipole, Da:	15.03
IP(EA), eV:	-8.49(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-(3-methoxypropoxy)-1,10-dimethyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations