Geometry & MOs

Info

ID:

220191

PubChem CID:

85165343

Reduced:

SnF3O3C33H49 (1)

Stoich.:

AB3C3D33E49 (1)

Weight, g/mol:

668.205607

ΔHf, kcal/mol:

-284.85

Dipole, Da:

5.85

IP(EA), eV:

 -9.28(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-dichlorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidin-1-ium]-1'-ylbutyl]-4-methoxy-N-methylbenzamide;4-hydroxy-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C(CCC1=CC=CC=C1)CCOC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC

DOS

IR

Vibrations