Geometry & MOs

Info

ID:	327861
PubChem CID:	126691177
Reduced:	OF3N5H20C24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	804.314064
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	1.98
IP(EA), eV:	-9.58(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydrotriphenylen-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations