Geometry & MOs

Info

ID:	431372
PubChem CID:	135171447
Reduced:	OSCl2N4C12H14 (1)
Stoich.:	ABC2D4E12F14 (1)
Weight, g/mol:	860.387898
ΔH_f, kcal/mol:	17.91
Dipole, Da:	4.21
IP(EA), eV:	-8.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[2-[6-(4-methylanilino)-9-(4-methylphenyl)carbazol-4-yl]phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1C[C@H]2COC[C@@H]1N2C3=NC(=CS3)N4CNC(=C4Cl)Cl

DOS

IR

Vibrations