Geometry & MOs

Info

ID:

299267

PubChem CID:

117682387

Reduced:

N2O2H50C61 (1)

Stoich.:

A2B2C50D61 (1)

Weight, g/mol:

856.402879

ΔHf, kcal/mol:

124.86

Dipole, Da:

0.17

IP(EA), eV:

 -7.74(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-tert-butyl-9-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=CC=CC=C4)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7C(C)C)N(C9=CC=CC=C9)C1=CC=CC2=C1OC1=C(C=CC=C21)C)C(=C5)C(C)C

DOS

IR

Vibrations