Geometry & MOs

Info

ID:

315857

PubChem CID:

126629114

Reduced:

O3N8C40H66 (1)

Stoich.:

A3B8C40D66 (1)

Weight, g/mol:

945.408299

ΔHf, kcal/mol:

-31.65

Dipole, Da:

11.9

IP(EA), eV:

 -3.42(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[3-[2-[4-(3-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-4-[4-(3-phenylphenyl)phenyl]-1,2-dihydropyridin-6-yl]phenyl]phenyl]carbazole

Drug info:

PubChemData

Smile

CCCCCCC1=CN(C=C1)CCC(=O)N2CN(CN(C2)C(=O)CCN3C=C[N+](=C3)CCCCCC)C(=O)CCN4C=C[N+](=C4)CCCCCC

DOS

IR

Vibrations