Geometry & MOs

Info

ID:

391873

PubChem CID:

135010453

Reduced:

BN2O2C36H41 (1)

Stoich.:

AB2C2D36E41 (1)

Weight, g/mol:

1739.018652

ΔHf, kcal/mol:

-101.85

Dipole, Da:

6.14

IP(EA), eV:

 -7.98(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,6-bis[9-hexyl-6-(9-hexylcarbazol-3-yl)carbazol-3-yl]-9-[4-[9-hexyl-6-(9-hexylcarbazol-3-yl)carbazol-3-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

B(C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)CCCCCC)CCCCCC)(O)O

DOS

IR

Vibrations