Geometry & MOs

Info

ID:

299259

PubChem CID:

117682348

Reduced:

NOH24C34 (2)

Stoich.:

ABC24D34 (2)

Weight, g/mol:

856.402879

ΔHf, kcal/mol:

200.56

Dipole, Da:

1.05

IP(EA), eV:

 -7.89(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)N(C8=CC=CC(=C8)C9=CC=CC=C9)C1=CC=CC2=C1OC1=C(C=CC=C21)CC)C=C4)C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations