Geometry & MOs

Info

ID:	438941
PubChem CID:	135228702
Reduced:	NOC15H19 (2)
Stoich.:	ABC15D19 (2)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-22.49
Dipole, Da:	3.63
IP(EA), eV:	-8.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-ethyl-9-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=C)/C(=C/C)/C(=C)/C=C\1/C2=CC(=C(C=C2CC(N1)C(C)(C)C)C3=CN=C(C=C3)C)OC

DOS

IR

Vibrations