Geometry & MOs

Info

ID:	378050
PubChem CID:	134224119
Reduced:	NO3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	417.195151
ΔH_f, kcal/mol:	-223.3
Dipole, Da:	15.71
IP(EA), eV:	-8.36(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-1-fluoro-9-(3-methoxypropoxy)-10-methyl-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)N)OC)OCCCOC

DOS

IR

Vibrations