Geometry & MOs

Info

ID:

299263

PubChem CID:

117682358

Reduced:

NOH32C34 (2)

Stoich.:

ABC32D34 (2)

Weight, g/mol:

878.362077

ΔHf, kcal/mol:

86.56

Dipole, Da:

0.26

IP(EA), eV:

 -7.65(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(6-butyldibenzofuran-4-yl)-[6-(N-(6-butyldibenzofuran-4-yl)-4-cyanoanilino)pyren-1-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC=CC2=C1OC3=C2C=CC=C3N(C4=CC=C(C=C4)C(C)C)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7)N(C9=CC=C(C=C9)C(C)C)C1=CC=CC2=C1OC1=C2C=CC=C1C(C)(C)CC)C=C5

DOS

IR

Vibrations