Geometry & MOs

Info

ID:

315589

PubChem CID:

126628024

Reduced:

SN2H44C66 (1)

Stoich.:

AB2C44D66 (1)

Weight, g/mol:

830.366099

ΔHf, kcal/mol:

282.57

Dipole, Da:

0.87

IP(EA), eV:

 -7.94(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC=CC=C4N(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC8=C(C=C7)SC9=CC=CC=C98)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations