Geometry & MOs

Info

ID:

3207

PubChem CID:

9328

Reduced:

NO6C19H22 (2)

Stoich.:

AB6C19D22 (2)

Weight, g/mol:

720.289425

ΔHf, kcal/mol:

-414.12

Dipole, Da:

8.33

IP(EA), eV:

 -8.52(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;(2R,3R)-2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

CN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations