Geometry & MOs

Info

ID:

49653

PubChem CID:

11533459

Reduced:

O5C31H50 (1)

Stoich.:

A5B31C50 (1)

Weight, g/mol:

503.242021

ΔHf, kcal/mol:

-291.41

Dipole, Da:

2.75

IP(EA), eV:

 -9.07(1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxalic acid;1'-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]

Drug info:

PubChemData

Smile

C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C

DOS

IR

Vibrations