Geometry & MOs

Info

ID:	438729
PubChem CID:	135228482
Reduced:	ON3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	473.267842
ΔH_f, kcal/mol:	14.7
Dipole, Da:	9.96
IP(EA), eV:	-8.58(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-tert-butyl-10-methoxy-9-(6-pyrrolidin-1-ylpyridin-3-yl)-6,7,11,11a-tetrahydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(N3C2=CC(=O)C(=C3)C(=C)C)C(C)(C)C)C=C1/C(=C/N)/C=N

DOS

IR

Vibrations