Geometry & MOs

Info

ID:

299266

PubChem CID:

117682385

Reduced:

NOH28C32 (2)

Stoich.:

ABC28D32 (2)

Weight, g/mol:

842.387229

ΔHf, kcal/mol:

110.0

Dipole, Da:

1.21

IP(EA), eV:

 -7.76(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC=CC2=C1OC3=C2C=CC=C3N(C4=CC=CC=C4)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7C)N(C9=CC=CC=C9)C1=CC=CC2=C1OC1=C2C=CC=C1C(C)(C)CC)C(=C5)C

DOS

IR

Vibrations