Geometry & MOs

Info

ID:

376660

PubChem CID:

134222683

Reduced:

N2H68C71 (1)

Stoich.:

A2B68C71 (1)

Weight, g/mol:

840.263292

ΔHf, kcal/mol:

189.17

Dipole, Da:

1.54

IP(EA), eV:

 -7.77(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,4-N-bis(3-dibenzothiophen-4-ylphenyl)-2-methyl-1-N,4-N-diphenylnaphthalene-1,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C(=C1)N(C3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C6=CC=CC=C6)N(C7=CC=C(C=C7)C(C)(C)C8=CC=CC=C8)C9=CC=C(C=C9)C(C)(C)C1=CC=CC=C1

DOS

IR

Vibrations