Geometry & MOs

Info

ID:

431515

PubChem CID:

135171596

Reduced:

OSN2H30C52 (1)

Stoich.:

ABC2D30E52 (1)

Weight, g/mol:

780.277678

ΔHf, kcal/mol:

207.15

Dipole, Da:

1.79

IP(EA), eV:

 -8.04(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-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)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(C=C5)N(C7=CC=CC=C76)C8=CC9=C(C=C8)SC1=C9C=C3C4=CC=CC=C4OC3=C1)C1=CC=CC=C12

DOS

IR

Vibrations