Geometry & MOs

Info

ID:

325128

PubChem CID:

126681167

Reduced:

ON3H37C50 (1)

Stoich.:

AB3C37D50 (1)

Weight, g/mol:

724.197161

ΔHf, kcal/mol:

168.87

Dipole, Da:

3.72

IP(EA), eV:

 -8.0(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]thioxanthen-3-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=N9)OC2=CC=CC=C21)C

DOS

IR

Vibrations