Geometry & MOs

Info

ID:

431586

PubChem CID:

135171674

Reduced:

SN2O2H34C60 (1)

Stoich.:

AB2C2D34E60 (1)

Weight, g/mol:

689.210327

ΔHf, kcal/mol:

218.69

Dipole, Da:

4.22

IP(EA), eV:

 -8.06(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene-8-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C(=CC=C4)C5=CC6=C(C=C5)SC7=C6C=C(C=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC2=C(C3=CC=CC=C3O2)C2=C1OC1=CC=CC=C12

DOS

IR

Vibrations