Geometry & MOs

Info

ID:

299291

PubChem CID:

117682507

Reduced:

NOH32C35 (2)

Stoich.:

ABC32D35 (2)

Weight, g/mol:

968.528079

ΔHf, kcal/mol:

108.74

Dipole, Da:

0.74

IP(EA), eV:

 -7.07(-0.58)

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(4-methylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C2=CC=CC3=C2OC4=C3C=CC=C4C5CCCC5)C6=C7C=CC8=C9C7=C(C=CC9=C(C=C8C(C)C)N(C1=CC=CC=C1C)C1=CC=CC2=C1OC1=C2C=CC=C1C1CCCC1)C(=C6)C(C)C

DOS

IR

Vibrations