Geometry & MOs

Info

ID:

376260

PubChem CID:

134222270

Reduced:

NH14C23 (2)

Stoich.:

AB14C23 (2)

Weight, g/mol:

634.240899

ΔHf, kcal/mol:

212.61

Dipole, Da:

2.3

IP(EA), eV:

 -8.07(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[9-(4-phenylphenyl)carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=CC=CC=C9C1=CC=CC6=C17)C1=CC=CC=C13

DOS

IR

Vibrations