Geometry & MOs

Info

ID:

47343

PubChem CID:

10531674

Reduced:

O9C35H38 (1)

Stoich.:

A9B35C38 (1)

Weight, g/mol:

602.7901

ΔHf, kcal/mol:

-252.66

Dipole, Da:

1.26

IP(EA), eV:

 -8.41(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,4aR,5R,6R,7R,7aR,12bS)-5,6,10,11-tetrabromo-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(C(OC)OC)C(=O)C2=C(C(=C(C=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC)OC)OC

DOS

IR

Vibrations