Geometry & MOs

Info

ID:

299147

PubChem CID:

117673070

Reduced:

NOH38C41 (2)

Stoich.:

ABC38D41 (2)

Weight, g/mol:

1116.55938

ΔHf, kcal/mol:

121.93

Dipole, Da:

1.12

IP(EA), eV:

 -7.51(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,8-dicyclohexyl-6-N-(2,4-dimethylphenyl)-1-N-(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2=CC=CC3=C2OC4=C3C=CC=C4N(C5=CC=C(C=C5)C(C)(C)C)C6=C7C=CC8=C9C7=C(C=CC9=C(C=C8C(C)C)N(C1=CC=C(C=C1)C(C)(C)C)C1=CC=CC2=C1OC1=C2C=CC=C1C1=CC=CC=C1CC)C(=C6)C(C)C

DOS

IR

Vibrations