Geometry & MOs

Info

ID:

298424

PubChem CID:

117649413

Reduced:

ON3H37C60 (1)

Stoich.:

AB3C37D60 (1)

Weight, g/mol:

705.314398

ΔHf, kcal/mol:

246.23

Dipole, Da:

2.69

IP(EA), eV:

 -7.98(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-(4-carbazol-9-ylphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)N5C6=C(C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=C(C=C1)C1=CC=CC2=C1OC1=CC=CC=C21)C1=CC=CC=C15

DOS

IR

Vibrations