Geometry & MOs

Info

ID:

141919

PubChem CID:

52952320

Reduced:

O3C15H23 (2)

Stoich.:

A3B15C23 (2)

Weight, g/mol:

373.107183

ΔHf, kcal/mol:

-310.65

Dipole, Da:

3.12

IP(EA), eV:

 -9.59(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4,4-trifluoro-2-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C[C@@H](CC[C@@]1(CC[C@@]2(C(=C1)C=C[C@H]3[C@]2(CC[C@@H]4[C@@]3(C[C@H]([C@H]([C@@]4(C)CO)O)O)C)C)C)C(=O)O)C(=O)C

DOS

IR

Vibrations