Geometry & MOs

Info

ID:	377970
PubChem CID:	134224037
Reduced:	NO6C27H35 (1)
Stoich.:	AB6C27D35 (1)
Weight, g/mol:	535.187603
ΔH_f, kcal/mol:	-219.78
Dipole, Da:	12.74
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(methylsulfonyloxymethyl)cyclobutyl]oxymethyl 6-tert-butyl-9-hydroxy-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)OCC4CC(C4)OC)C(C)(C)C

DOS

IR

Vibrations