Geometry & MOs

Info

ID:

232948

PubChem CID:

87577796

Reduced:

ClN2H8C12 (1)

Stoich.:

AB2C8D12 (1)

Weight, g/mol:

367.233371

ΔHf, kcal/mol:

94.55

Dipole, Da:

4.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.958637

Charge, e:

 0

Chem-info

IUPAC name:

8-carbazol-9-yldodecane-1-thiol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+]#N)Cl

DOS

IR

Vibrations