Geometry & MOs

Info

ID:

189939

PubChem CID:

77926803

Reduced:

N4O8C35H48 (1)

Stoich.:

A4B8C35D48 (1)

Weight, g/mol:

545.292343

ΔHf, kcal/mol:

-325.96

Dipole, Da:

3.75

IP(EA), eV:

 -8.77(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxolan-3-yl 3-(2-propylsulfonylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl)-6-azabicyclo[3.2.2]nonane-6-carboxylate

Drug info:

PubChemData

Smile

CCOC1=NC2=C3C=C(CCCOC4CCCN(C4)C(=O)NC(C(=O)N5CC(CC5C(=O)OC)OC3=C1)C6CCCCC6)C(=C2)OC

DOS

IR

Vibrations