Geometry & MOs

Info

ID:

83672

PubChem CID:

49859892

Reduced:

O11C22H26 (2)

Stoich.:

A11B22C26 (2)

Weight, g/mol:

423.262088

ΔHf, kcal/mol:

-877.6

Dipole, Da:

6.2

IP(EA), eV:

 -9.95(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[2-(4-tert-butylphenoxy)ethoxy]propyl]-3-methylpiperidine;oxalic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3[C@@]24CO[C@]([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)OC(=O)C(=O)O[C@@H]6[C@H]7[C@H]([C@H]([C@@]8([C@H]9[C@@]7(CO8)[C@@H](C[C@@H]1[C@@]9([C@@H](C(=O)C=C1C)O)C)OC6=O)O)O)C.C(=O)(C(=O)O)O

DOS

IR

Vibrations