Geometry & MOs

Info

ID:

299227

PubChem CID:

117682239

Reduced:

N8O9C64H94 (1)

Stoich.:

A8B9C64D94 (1)

Weight, g/mol:

856.402879

ΔHf, kcal/mol:

-442.93

Dipole, Da:

5.78

IP(EA), eV:

 -8.02(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2CC3=CN(C4=CC=CC=C43)CCOCCN5C=C(C6=CC=CC=C65)C[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations