Geometry & MOs

Info

ID:

377135

PubChem CID:

134223173

Reduced:

SN4H38C47 (1)

Stoich.:

AB4C38D47 (1)

Weight, g/mol:

927.430097

ΔHf, kcal/mol:

263.06

Dipole, Da:

2.21

IP(EA), eV:

 -8.0(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,5-tris(3,6-dimethylcarbazol-9-yl)-6-(4,14-dimethyl-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)benzene-1,4-dicarbonitrile

Drug info:

PubChemData

Smile

C/C=C\C=C(/C#C)\C1=C(C=C(C=C1)C2=CCC3C4=C(C=C(C=C4)C5=NC(=NC(=N5)C6=CC=CC=C6)C7(CC=CC=C7)C)N(C3=C2)C8=CC=CC=C8)S

DOS

IR

Vibrations