Geometry & MOs

Info

ID:

299284

PubChem CID:

117682480

Reduced:

NOH26C31 (2)

Stoich.:

ABC26D31 (2)

Weight, g/mol:

828.371579

ΔHf, kcal/mol:

107.95

Dipole, Da:

2.91

IP(EA), eV:

 -7.66(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3,4,5-trimethylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=C(C=C(C=C6)C)C)C7=CC=CC8=C7OC9=C8C=CC=C9C(C)C)C=C2)C1=CC=CC2=C1OC1=C2C=CC=C1C(C)C)C

DOS

IR

Vibrations