Geometry & MOs

Info

ID:

378547

PubChem CID:

134224636

Reduced:

ON4H22C37 (1)

Stoich.:

AB4C22D37 (1)

Weight, g/mol:

623.236148

ΔHf, kcal/mol:

173.99

Dipole, Da:

1.55

IP(EA), eV:

 -8.41(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-phenyl-18-(9-phenylcarbazol-3-yl)-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)C5=CC6=C(C=C5N4)OC7=CC8=CC=CC=C8C=C76)C9=CC=CC=C9

DOS

IR

Vibrations