Geometry & MOs

Info

ID:

299265

PubChem CID:

117682365

Reduced:

NOH26C31 (2)

Stoich.:

ABC26D31 (2)

Weight, g/mol:

884.434179

ΔHf, kcal/mol:

109.72

Dipole, Da:

1.67

IP(EA), eV:

 -7.67(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,8-dimethyl-1-N,6-N-bis[6-(2-methylbutan-2-yl)dibenzofuran-4-yl]-1-N,6-N-diphenylpyrene-1,6-diamine

Drug info:

PubChemData

Smile

CCCC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=C(C=C(C=C4)C)C)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7)N(C9=C(C=C(C=C9)C)C)C1=CC=CC2=C1OC1=C(C=CC=C21)CCC)C=C5

DOS

IR

Vibrations