Geometry & MOs

Info

ID:

144972

PubChem CID:

53442490

Reduced:

NO2C16H23 (2)

Stoich.:

AB2C16D23 (2)

Weight, g/mol:

580.398856

ΔHf, kcal/mol:

-243.2

Dipole, Da:

0.63

IP(EA), eV:

 -9.95(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[3-(1,3-dioxo-3a,4,5,6,6a,7,8,9,9a,9b-decahydrobenzo[de]isoquinolin-2-yl)propyl]piperazin-1-yl]propyl]-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)CC4CCC(CC4)CN5C(=O)C6CCCC7C6C(C5=O)CCC7

DOS

IR

Vibrations