Geometry & MOs

Info

ID:	438892
PubChem CID:	135228652
Reduced:	NOC15H18 (2)
Stoich.:	ABC15D18 (2)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-43.66
Dipole, Da:	6.24
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(C=C4C)C)C(C)(C)C

DOS

IR

Vibrations