Geometry & MOs

Info

ID:	438769
PubChem CID:	135228523
Reduced:	O2N3C28H33 (1)
Stoich.:	A2B3C28D33 (1)
Weight, g/mol:	503.242021
ΔH_f, kcal/mol:	-23.23
Dipole, Da:	5.9
IP(EA), eV:	-8.75(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[6-(4-hydroxypiperidin-1-yl)pyridin-3-yl]-10-methoxy-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(N=C4)C)C(C)(C)C

DOS

IR

Vibrations