Geometry & MOs

Info

ID:

329325

PubChem CID:

126734743

Reduced:

N7H39C60 (1)

Stoich.:

A7B39C60 (1)

Weight, g/mol:

890.290643

ΔHf, kcal/mol:

351.59

Dipole, Da:

6.53

IP(EA), eV:

 -8.06(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[9-[4-[4-[4-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole-3,6-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=C(C=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=C5C=CC(=C9)N(C1=CC=C(C=C1)C#N)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations