Geometry & MOs

Info

ID:	439127
PubChem CID:	135228892
Reduced:	N3O5C28H31 (1)
Stoich.:	A3B5C28D31 (1)
Weight, g/mol:	501.299142
ΔH_f, kcal/mol:	-153.95
Dipole, Da:	11.04
IP(EA), eV:	-8.64(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[6-(dipropylamino)pyridin-3-yl]-10-ethyl-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=CN=C(C=C4)N5CCOCC5

DOS

IR

Vibrations