Geometry & MOs

Info

ID:	438878
PubChem CID:	135228638
Reduced:	NO5C26H27 (1)
Stoich.:	AB5C26D27 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-159.74
Dipole, Da:	10.47
IP(EA), eV:	-9.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CC(=CC=C4)OC

DOS

IR

Vibrations