Geometry & MOs

Info

ID:

376259

PubChem CID:

134222269

Reduced:

ON2H32C52 (1)

Stoich.:

AB2C32D52 (1)

Weight, g/mol:

608.225249

ΔHf, kcal/mol:

201.83

Dipole, Da:

3.86

IP(EA), eV:

 -7.95(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(9-naphthalen-2-ylcarbazol-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)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=CC7=C(C=C64)N(C8=CC=CC=C87)C9=CC=C(C=C9)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations