Geometry & MOs

Info

ID:

162199

PubChem CID:

57393923

Reduced:

ClON2C20H22 (2)

Stoich.:

ABC2D20E22 (2)

Weight, g/mol:

682.284132

ΔHf, kcal/mol:

-23.22

Dipole, Da:

6.39

IP(EA), eV:

 -8.33(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[4-[4-[4-[[amino-(4-tert-butylphenyl)methylidene]amino]phenoxy]phenoxy]phenyl]-4-tert-butylbenzenecarboximidamide;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)OC3=CC(=CC=C3)OC4=CC=C(C=C4)N=C(C5=CC=C(C=C5)C(C)(C)C)N)N.Cl.Cl

DOS

IR

Vibrations