Geometry & MOs

Info

ID:	438783
PubChem CID:	135228540
Reduced:	N2O3C31H38 (1)
Stoich.:	A2B3C31D38 (1)
Weight, g/mol:	436.179835
ΔH_f, kcal/mol:	-97.31
Dipole, Da:	8.7
IP(EA), eV:	-7.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-(6-fluoro-4-methylpyridin-3-yl)-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=O)C=C3C2=C1)C(=O)OCC)C(C)(C)C)C4=CN(C(=C)C=C4)C(C)C

DOS

IR

Vibrations