Geometry & MOs

Info

ID:

215052

PubChem CID:

85084060

Reduced:

N7O8C34H45 (1)

Stoich.:

A7B8C34D45 (1)

Weight, g/mol:

679.293388

ΔHf, kcal/mol:

-218.33

Dipole, Da:

11.57

IP(EA), eV:

 -8.62(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-acetyloxy-4a-(anthracen-9-ylmethoxy)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)N4N=C(N=N4)C5=CC(=C(C=C5)OCC6CC6)O)C(=O)O

DOS

IR

Vibrations