Geometry & MOs

Info

ID:

431449

PubChem CID:

135171529

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

714.230728

ΔHf, kcal/mol:

167.88

Dipole, Da:

1.56

IP(EA), eV:

 -8.04(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

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=C8C9=CC=CC=C9OC8=C1C(=C7)C3=CC=CC=C3O1)C1=CC=CC=C12

DOS

IR

Vibrations