Geometry & MOs

Info

ID:

144970

PubChem CID:

53442488

Reduced:

N3O5C19H29 (1)

Stoich.:

A3B5C19D29 (1)

Weight, g/mol:

483.309707

ΔHf, kcal/mol:

-165.44

Dipole, Da:

4.87

IP(EA), eV:

 -8.67(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-(1,3-dioxo-3a,4,5,6,6a,7,8,9,9a,9b-decahydrobenzo[de]isoquinolin-2-yl)ethylamino]ethyl]-3a,4,5,6,6a,7,8,9,9a,9b-decahydrobenzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

C1CC2CC(CC3C2C(C1)C(=O)N(C3=O)CCCN4CCOCC4)[N+](=O)[O-]

DOS

IR

Vibrations