Geometry & MOs

Info

ID:	439072
PubChem CID:	135228835
Reduced:	NO4C25H25 (1)
Stoich.:	AB4C25D25 (1)
Weight, g/mol:	478.210387
ΔH_f, kcal/mol:	-120.84
Dipole, Da:	14.05
IP(EA), eV:	-9.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-9-[6-(2-methoxyethoxy)pyridin-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

DOS

IR

Vibrations