Geometry & MOs

Info

ID:

188600

PubChem CID:

77740043

Reduced:

F3N3O6C30H46 (1)

Stoich.:

A3B3C6D30E46 (1)

Weight, g/mol:

479.205636

ΔHf, kcal/mol:

-433.76

Dipole, Da:

11.37

IP(EA), eV:

 -9.33(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol;hydrate

Drug info:

PubChemData

Smile

CC(C)CC(C=C(C)C(=O)O)NCC(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C1=CC=CC=C1)NC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations