Geometry & MOs

Info

ID:

185813

PubChem CID:

77351909

Reduced:

N3O9C33H37 (1)

Stoich.:

A3B9C33D37 (1)

Weight, g/mol:

467.209658

ΔHf, kcal/mol:

-307.43

Dipole, Da:

10.22

IP(EA), eV:

 -8.26(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7,9-dihydroxy-3-methyl-1,2,4,4a,7,7a,10,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)-(2-phenylphenyl)methanone

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C(=C(C=C4)C(=O)C(CC5=CC=C(C=C5)OC)N(C)C)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O

DOS

IR

Vibrations