Geometry & MOs

Info

ID:

316737

PubChem CID:

126631680

Reduced:

N9H57C85 (1)

Stoich.:

A9B57C85 (1)

Weight, g/mol:

1268.525394

ΔHf, kcal/mol:

449.21

Dipole, Da:

0.89

IP(EA), eV:

 -7.82(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[7-[2,6-bis[3-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC7=C(C=CC(=C7)C8=NC(=NC(=N8)N9C1=C(C=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C19)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21)C=C6

DOS

IR

Vibrations