Geometry & MOs

Info

ID:

6440

PubChem CID:

68622

Reduced:

NO2C11H15 (2)

Stoich.:

AB2C11D15 (2)

Weight, g/mol:

386.220557

ΔHf, kcal/mol:

-139.71

Dipole, Da:

3.89

IP(EA), eV:

 -8.3(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aR,7S,7aR,12bS)-3-methyl-9-(morpholin-4-ylmethoxy)-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Drug info:

PubChemData

Smile

CN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)OCN6CCOCC6)O[C@H]3[C@H](CC4)O

DOS

IR

Vibrations