Geometry & MOs

Info

ID:

173272

PubChem CID:

75614580

Reduced:

O25C41H52 (1)

Stoich.:

A25B41C52 (1)

Weight, g/mol:

330.18559

ΔHf, kcal/mol:

-1032.13

Dipole, Da:

5.44

IP(EA), eV:

 -9.14(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC=C(C=C6)O)OC7C(C(C(C(O7)C)OC(=O)C)O)O)O)O)O)O)O

DOS

IR

Vibrations