Geometry & MOs

Info

ID:

431484

PubChem CID:

135171565

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

162.39

Dipole, Da:

2.27

IP(EA), eV:

 -7.98(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole

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=CC8=C(C=C7)OC9=C8C1=C(C=C9)C3=CC=CC=C3O1)C1=CC=CC=C12

DOS

IR

Vibrations