Geometry & MOs

Info

ID:	438957
PubChem CID:	135228718
Reduced:	N3O6C32H43 (1)
Stoich.:	A3B6C32D43 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-155.71
Dipole, Da:	5.37
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-[(Z)-1-iminobut-2-en-2-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=C[C@@H]4C1O4)OC)/C(=C/C)/C=N\CNC(C)C(=O)OCC)C(C)(C)C

DOS

IR

Vibrations