Geometry & MOs

Info

ID:	377923
PubChem CID:	134223989
Reduced:	NO6C23H29 (1)
Stoich.:	AB6C23D29 (1)
Weight, g/mol:	443.230788
ΔH_f, kcal/mol:	-214.57
Dipole, Da:	7.37
IP(EA), eV:	-9.35(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 10-butoxy-9-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNC(=CC1=O)/C(=C/C(C)OC)/CC(OC)OCC2=CC=CC=C2

DOS

IR

Vibrations