Geometry & MOs

Info

ID:

328995

PubChem CID:

126730075

Reduced:

N5H41C60 (1)

Stoich.:

A5B41C60 (1)

Weight, g/mol:

929.326694

ΔHf, kcal/mol:

275.45

Dipole, Da:

1.85

IP(EA), eV:

 -7.9(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(2,6-diphenylpyrimidin-4-yl)benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)N7C8=C(C=C(C=C8)C)C9=CC=CC=C97)C1=CC=C(C=C1)C1=NC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations