Geometry & MOs

Info

ID:

144973

PubChem CID:

53442491

Reduced:

N2O2C17H26 (2)

Stoich.:

A2B2C17D26 (2)

Weight, g/mol:

524.361408

ΔHf, kcal/mol:

-231.82

Dipole, Da:

5.82

IP(EA), eV:

 -8.14(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(1,3-dioxo-3a,4,5,6,6a,7,8,9,9a,9b-decahydrobenzo[de]isoquinolin-2-yl)-2,5-dimethylhexan-2-yl]-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)CCCN4CCN(CC4)CCCN5C(=O)C6CCCC7C6C(C5=O)CCC7

DOS

IR

Vibrations