Geometry & MOs

Info

ID:

436888

PubChem CID:

135212614

Reduced:

N6H38C61 (1)

Stoich.:

A6B38C61 (1)

Weight, g/mol:

548.200097

ΔHf, kcal/mol:

426.83

Dipole, Da:

3.73

IP(EA), eV:

 -7.92(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-carbazol-9-yl-22-phenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8(13),9,11,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C4=CC=CC=C4C5=CC=CC=C5N3C6=C2N(C7=C6C=C(C=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations