Geometry & MOs

Info

ID:

84672

PubChem CID:

49869263

Reduced:

NCl2O3C36H54 (1)

Stoich.:

AB2C3D36E54 (1)

Weight, g/mol:

712.28677

ΔHf, kcal/mol:

-155.55

Dipole, Da:

6.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.162153

Charge, e:

 0

Chem-info

IUPAC name:

8-[[2-[(6-chloropyridin-3-yl)methyl]-6-methoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium-5-yl]oxy]octan-1-ol;iodide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=[N+](CCC2=C1C=CC(=C2OCCCCCCCCO)OC)CC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations