Geometry & MOs

Info

ID:

299285

PubChem CID:

117682484

Reduced:

NOH24C30 (2)

Stoich.:

ABC24D30 (2)

Weight, g/mol:

936.465479

ΔHf, kcal/mol:

110.39

Dipole, Da:

2.36

IP(EA), eV:

 -7.67(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-bis(3,4,5-trimethylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)N(C8=CC=CC9=C8OC1=C(C=CC=C91)C)C1=CC(=C(C(=C1)C)C)C)C=C4)C1=CC(=C(C(=C1)C)C)C

DOS

IR

Vibrations