Geometry & MOs

Info

ID:	439083
PubChem CID:	135228846
Reduced:	NOC13H14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	7.45
IP(EA), eV:	-9.21(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-tert-butyl-10-methoxy-9-[2-(methylamino)pyrimidin-5-yl]-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(N3C2=CC(=O)C(=C3)C(=O)C)C(C)(C)C)C=C1C4=C(N=CC=C4)C

DOS

IR

Vibrations