Geometry & MOs

Info

ID:

299292

PubChem CID:

117682510

Reduced:

NOH34C35 (2)

Stoich.:

ABC34D35 (2)

Weight, g/mol:

996.55938

ΔHf, kcal/mol:

66.96

Dipole, Da:

0.89

IP(EA), eV:

 -7.56(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6,8-ditert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2,5-dimethylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=CC=C(C=C6)C)C7=CC=CC8=C7OC9=C8C=C(C=C9C(C)(C)C)C(C)(C)C)C=C2)C1=CC=CC2=C1OC1=C2C=C(C=C1C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations