Geometry & MOs

Info

ID:	432155
PubChem CID:	135172287
Reduced:	F3N7C22H24 (1)
Stoich.:	A3B7C22D24 (1)
Weight, g/mol:	619.208219
ΔH_f, kcal/mol:	-28.27
Dipole, Da:	8.64
IP(EA), eV:	-9.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]-N-methylaniline

Drug info:

PubChemData

Smile

C/C(=C\N(CC(F)(F)F)N=C)/C1=CN=C(N=C1C2=CC=C(C=C2)C#N)N3CCC(CC3)N

DOS

IR

Vibrations