Geometry & MOs

Info

ID:

310288

PubChem CID:

126578034

Reduced:

N2H13C22 (2)

Stoich.:

A2B13C22 (2)

Weight, g/mol:

736.262697

ΔHf, kcal/mol:

255.21

Dipole, Da:

2.76

IP(EA), eV:

 -8.29(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(9-phenylcarbazol-3-yl)-22-(4-phenylphenyl)-1,18,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19(24),20,22,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C4C5=C6C(=C(C=C5)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1N6C4=N3

DOS

IR

Vibrations