Geometry & MOs

Info

ID:	438980
PubChem CID:	135228741
Reduced:	NOC13H17 (2)
Stoich.:	ABC13D17 (2)
Weight, g/mol:	369.230394
ΔH_f, kcal/mol:	-34.41
Dipole, Da:	4.14
IP(EA), eV:	-8.63(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-3-(2-ethoxyacetyl)-9,10-dimethyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

C/C=C(\C=N)/C1=C(C=C\2C(=C1)CC(N/C2=C\C(=O)/C(=C\C)/C(=C)C)C(C)(C)C)OC

DOS

IR

Vibrations