Geometry & MOs

Info

ID:

310285

PubChem CID:

126578005

Reduced:

ON3H19C36 (1)

Stoich.:

AB3C19D36 (1)

Weight, g/mol:

685.251798

ΔHf, kcal/mol:

187.31

Dipole, Da:

1.01

IP(EA), eV:

 -8.56(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-10,12-diazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2N=C4C5=CC(=CC6=C5N(C4=N3)C7=CC=CC=C76)C8=CC9=C(C=C8)OC1=CC=CC=C19

DOS

IR

Vibrations