Geometry & MOs

Info

ID:

299283

PubChem CID:

117682474

Reduced:

NOH30C33 (2)

Stoich.:

ABC30D33 (2)

Weight, g/mol:

856.402879

ΔHf, kcal/mol:

82.93

Dipole, Da:

0.36

IP(EA), eV:

 -7.72(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC=CC2=C1OC3=C2C=CC=C3N(C4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)N(C8=CC=CC9=C8OC1=C9C=CC=C1C(C)(C)CC)C1=CC(=CC(=C1)C)C)C=C4)C1=CC(=CC(=C1)C)C

DOS

IR

Vibrations