Geometry & MOs

Info

ID:

431588

PubChem CID:

135171676

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

906.288243

ΔHf, kcal/mol:

194.21

Dipole, Da:

1.75

IP(EA), eV:

 -7.93(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-(5,15,24-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(27),2(14),3,6,8,10,12,16,18,20,22,25-dodecaen-26-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC8=C7OC9=C8C1=C(C=C9)C3=CC=CC=C3S1)C1=CC=CC=C12

DOS

IR

Vibrations