Geometry & MOs

Info

ID:	439114
PubChem CID:	135228878
Reduced:	SO3N4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	485.304228
ΔH_f, kcal/mol:	14.16
Dipole, Da:	4.53
IP(EA), eV:	-8.67(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-tert-butyl-9-[6-(dipropylamino)pyridin-3-yl]-10-methyl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

C1CC(CCC1C(CC2C3=CC=CC=C3C4N2C=NC4)N=O)OCC5=CC=C(C=C5)S(=O)N

DOS

IR

Vibrations