Geometry & MOs

Info

ID:

378243

PubChem CID:

134224319

Reduced:

ON4H39C59 (2)

Stoich.:

AB4C39D59 (2)

Weight, g/mol:

526.204513

ΔHf, kcal/mol:

619.14

Dipole, Da:

4.05

IP(EA), eV:

 -8.25(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4a-methyl-9-phenyl-4H-carbazol-3-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC(=CC(=C3)C(=O)C4=CC(=CC(=C4)C5=CC=CC(=N5)C6=CC=CC(=C6)C7=CC8=C(C=C7)C9=CC=CC=C9N8C1=CC(=CC(=C1)C(=O)C1=CC(=CC(=C1)N1C2C=CC=CC2C2=CC=CC=C21)N1C2=CC=CC=C2C2=CC=CC=C21)N1C2C=CC=CC2C2=CC=CC=C21)C1=CC=CC(=N1)C1=CC=CC=C1)C1=CC=CC(=N1)C1=CC=CC=C1

DOS

IR

Vibrations