Geometry & MOs

Info

ID:

299238

PubChem CID:

117682294

Reduced:

NOH22C33 (2)

Stoich.:

ABC22D33 (2)

Weight, g/mol:

880.402879

ΔHf, kcal/mol:

210.01

Dipole, Da:

1.12

IP(EA), eV:

 -7.78(-1.0)

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)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)N(C8=CC=CC(=C8)C9=CC=CC=C9)C1=CC=CC2=C1OC1=C(C=CC=C21)C)C=C4)C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations