Geometry & MOs

Info

ID:

441792

PubChem CID:

135244762

Reduced:

N2C63H70 (1)

Stoich.:

A2B63C70 (1)

Weight, g/mol:

824.50695

ΔHf, kcal/mol:

135.05

Dipole, Da:

1.99

IP(EA), eV:

 -7.68(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N,7-N-bis(4-but-3-enylphenyl)-2-N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-7-N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-methyl-9-phenylfluorene-2,7-diamine

Drug info:

PubChemData

Smile

CCCCCCC1(C2=C(C=CC(=C2)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=C1C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC(C=C7)(C)C(C)(C)C)CCCCCCC8=CC9=C(CC9)C=C8

DOS

IR

Vibrations