Geometry & MOs

Info

ID:

214924

PubChem CID:

85083859

Reduced:

O3N5C39H55 (1)

Stoich.:

A3B5C39D55 (1)

Weight, g/mol:

605.200944

ΔHf, kcal/mol:

-66.68

Dipole, Da:

6.75

IP(EA), eV:

 -8.18(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,6-dimethoxy-4-[5-(4-nitroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]phenyl] 2-(dimethylamino)acetate

Drug info:

PubChemData

Smile

CCCN(CCCOCCCN1CCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)C4CCN(CC4)CC5=C(C=CN=C5)OC

DOS

IR

Vibrations