Geometry & MOs

Info

ID:

296874

PubChem CID:

117598298

Reduced:

N2S2O8C39H42 (1)

Stoich.:

A2B2C8D39E42 (1)

Weight, g/mol:

726.315512

ΔHf, kcal/mol:

-219.72

Dipole, Da:

3.83

IP(EA), eV:

 -7.97(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;3,3-diphenyl-N-(1-phenylethyl)propan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations