Geometry & MOs

Info

ID:

219184

PubChem CID:

85091302

Reduced:

ClN3F4O6H30C33 (1)

Stoich.:

AB3C4D6E30F33 (1)

Weight, g/mol:

679.293388

ΔHf, kcal/mol:

-368.22

Dipole, Da:

5.08

IP(EA), eV:

 -8.85(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4a-acetyloxy-7-(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

CCC(C(=O)NC(CC(=O)OC(C)(C)CC1=CN=CC=C1)C(=O)COC2=C(C(=CC(=C2F)F)F)F)N3C=CC4=C(C3=O)C=C(C=C4)Cl

DOS

IR

Vibrations