Geometry & MOs

Info

ID:

84638

PubChem CID:

49868994

Reduced:

NCl2O3C35H52 (1)

Stoich.:

AB2C3D35E52 (1)

Weight, g/mol:

651.30986

ΔHf, kcal/mol:

-164.13

Dipole, Da:

4.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.227259

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-[(2,6-difluorophenyl)methyl]-6-methoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium-5-yl]oxy]heptan-1-ol;bromide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=[N+](CCC2=C1C=CC(=C2OCCCCCCCO)OC)CC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations