Geometry & MOs

Info

ID:

144971

PubChem CID:

53442489

Reduced:

N3O4C28H41 (1)

Stoich.:

A3B4C28D41 (1)

Weight, g/mol:

522.345758

ΔHf, kcal/mol:

-221.38

Dipole, Da:

6.29

IP(EA), eV:

 -9.01(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CCCC3C2C(C1)C(=O)N(C3=O)CCNCCN4C(=O)C5CCCC6C5C(C4=O)CCC6

DOS

IR

Vibrations