Geometry & MOs

Info

ID:

17322

PubChem CID:

492880

Reduced:

ON2C32H44 (1)

Stoich.:

AB2C32D44 (1)

Weight, g/mol:

472.345364

ΔHf, kcal/mol:

-4.37

Dipole, Da:

3.64

IP(EA), eV:

 -8.53(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,5S)-5-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]spiro[3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b][1,2]oxazole-2,1'-cyclohexane]

Drug info:

PubChemData

Smile

C1CCC2(CC1)C[C@H]3C([C@H](CN3O2)C4=CC=CC=C4)CN5CCC(CC5)CCCC6=CC=CC=C6

DOS

IR

Vibrations