Geometry & MOs

Info

ID:

299228

PubChem CID:

117682240

Reduced:

NOH26C31 (2)

Stoich.:

ABC26D31 (2)

Weight, g/mol:

912.465479

ΔHf, kcal/mol:

117.68

Dipole, Da:

1.15

IP(EA), eV:

 -7.66(-0.93)

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

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(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=C(C=CC=C21)CC)C=C5

DOS

IR

Vibrations