Geometry & MOs

Info

ID:

324682

PubChem CID:

126678127

Reduced:

ON5H35C51 (1)

Stoich.:

AB5C35D51 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

222.54

Dipole, Da:

4.11

IP(EA), eV:

 -8.04(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,24-diphenyl-8-(9-phenylcarbazol-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(N=C(N2)C3=CC4=C(C=C3)C5=C(O4)C6=C(C=C5)N(C7=C6C=CC8=C7C9=CC=CC=C9N8C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations