Geometry & MOs

Info

ID:

299148

PubChem CID:

117673112

Reduced:

NOH36C41 (2)

Stoich.:

ABC36D41 (2)

Weight, g/mol:

1172.62198

ΔHf, kcal/mol:

140.69

Dipole, Da:

3.9

IP(EA), eV:

 -7.18(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,8-dicyclohexyl-1-N,6-N-bis(4-ethylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C2=CC=CC3=C2OC4=C3C=CC=C4C5=CC=CC=C5C)C6=C7C=CC8=C9C7=C(C=CC9=C(C=C8C1CCCCC1)N(C1=CC=CC2=C1OC1=C2C=CC=C1C1=CC=CC=C1C)C1=C(C=CC(=C1)C)C)C(=C6)C1CCCCC1)C

DOS

IR

Vibrations