Geometry & MOs

Info

ID:

127592

PubChem CID:

51007624

Reduced:

O27C56H92 (1)

Stoich.:

A27B56C92 (1)

Weight, g/mol:

378.183109

ΔHf, kcal/mol:

-1297.44

Dipole, Da:

6.23

IP(EA), eV:

 -9.75(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1R,4S,5S,6S)-5,6-bis(phenylmethoxy)bicyclo[2.2.1]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2(C(C3C(O2)C[C@@H]4[C@@]3(CCC5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@@H]([C@H]([C@H](O9)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC2[C@@H]([C@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O)O)O)O)C)C)C)C)OC1

DOS

IR

Vibrations