Geometry & MOs

Info

ID:

376658

PubChem CID:

134222681

Reduced:

NC27H31 (2)

Stoich.:

AB27C31 (2)

Weight, g/mol:

854.278942

ΔHf, kcal/mol:

57.13

Dipole, Da:

1.71

IP(EA), eV:

 -7.72(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C(=C1C)N(C3=CC=C(C=C3)C4CCCCC4)C5=CC=C(C=C5)C(C)C)N(C6=CC=C(C=C6)C7CCCCC7)C8=CC=C(C=C8)C(C)C

DOS

IR

Vibrations