Geometry & MOs

Info

ID:

299290

PubChem CID:

117682506

Reduced:

NOH30C37 (2)

Stoich.:

ABC30D37 (2)

Weight, g/mol:

964.496779

ΔHf, kcal/mol:

159.77

Dipole, Da:

1.34

IP(EA), eV:

 -7.9(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(C)(C)C)OC3=C2C=CC=C3N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=C7C=CC8=C9C7=C(C=CC9=C(C=C8)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC2=C1OC1=C2C=C(C=C1C(C)(C)C)C)C=C6

DOS

IR

Vibrations