Geometry & MOs

Info

ID:

184070

PubChem CID:

77105222

Reduced:

NO5C22H23 (1)

Stoich.:

AB5C22D23 (1)

Weight, g/mol:

568.323583

ΔHf, kcal/mol:

-111.99

Dipole, Da:

4.25

IP(EA), eV:

 -8.73(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

3-[butyl-[7-methoxy-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]amino]propyl-trimethylazanium

Drug info:

PubChemData

Smile

[11CH3]C([11CH3])(C1=C(C(=NO1)C2=CC=C(C=C2)O[11CH3])C3=CC=C(C=C3)O[11CH3])C(=O)O[11CH3]

DOS

IR

Vibrations