Geometry & MOs

Info

ID:

299252

PubChem CID:

117682332

Reduced:

NO2H24C35 (2)

Stoich.:

AB2C24D35 (2)

Weight, g/mol:

912.465479

ΔHf, kcal/mol:

150.32

Dipole, Da:

3.04

IP(EA), eV:

 -7.78(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)N(C8=CC=CC9=C8OC1=CC=CC=C91)C1=CC=CC2=C1OC1=C(C=CC=C21)CCC)C=C4)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations