Geometry & MOs

Info

ID:

325378

PubChem CID:

126682998

Reduced:

N3H37C60 (1)

Stoich.:

A3B37C60 (1)

Weight, g/mol:

634.240899

ΔHf, kcal/mol:

510.02

Dipole, Da:

5.66

IP(EA), eV:

 -7.91(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(4aZ,8aZ,12aZ,16aE)-tetraphenylen-1-yl]-4-carbazol-9-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=C/C/2=C/3\C=CC=C\C3=C\3/C=CC=C/C3=C/3\C=CC=C\C3=C2/C=C1

DOS

IR

Vibrations