Geometry & MOs

Info

ID:

299288

PubChem CID:

117682504

Reduced:

NOH28C33 (2)

Stoich.:

ABC28D33 (2)

Weight, g/mol:

828.371579

ΔHf, kcal/mol:

119.84

Dipole, Da:

1.95

IP(EA), eV:

 -7.46(-0.71)

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-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC3=C4C2=C1C=CC4=C(C=C3C)N(C5=CC=CC=C5)C6=CC=CC7=C6OC8=C7C=CC=C8C9CCCCC9)N(C1=CC=CC=C1)C1=CC=CC2=C1OC1=C2C=CC=C1C1CCCCC1

DOS

IR

Vibrations