Geometry & MOs

Info

ID:

329320

PubChem CID:

126734615

Reduced:

N7H35C60 (1)

Stoich.:

A7B35C60 (1)

Weight, g/mol:

933.357994

ΔHf, kcal/mol:

354.49

Dipole, Da:

5.69

IP(EA), eV:

 -8.44(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]-5-(2,6-diphenylpyrimidin-4-yl)benzene-1,3-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)N7C8=C(C=C(C=C8)C#N)C9=CC=CC=C97)C1=C5C=CC(=C1)N1C2=C(C=C(C=C2)C#N)C2=CC=CC=C21

DOS

IR

Vibrations