Geometry & MOs

Info

ID:	329585
PubChem CID:	126738633
Reduced:	NSF2O2H13C17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	616.287849
ΔH_f, kcal/mol:	-100.04
Dipole, Da:	0.94
IP(EA), eV:	-8.89(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine

Drug info:

PubChemData

Smile

CSC1=C2[C@@H]([C@H](CC2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)F)O

DOS

IR

Vibrations