Geometry & MOs

Info

ID:

299293

PubChem CID:

117682511

Reduced:

NOC36H36 (2)

Stoich.:

ABC36D36 (2)

Weight, g/mol:

908.434179

ΔHf, kcal/mol:

50.85

Dipole, Da:

1.73

IP(EA), eV:

 -7.48(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,8-dicyclohexyl-1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=CC=CC7=C6OC8=C7C=C(C=C8C(C)(C)C)C(C)(C)C)C9=C(C=CC(=C9)C)C)C=C2)C1=CC=CC2=C1OC1=C2C=C(C=C1C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations