Geometry & MOs

Info

ID:	377918
PubChem CID:	134223984
Reduced:	BrH4F7C13 (1)
Stoich.:	AB4C7D13 (1)
Weight, g/mol:	897.408299
ΔH_f, kcal/mol:	-294.56
Dipole, Da:	0.83
IP(EA), eV:	-10.1(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-phenylphenyl]-4-tert-butylpyridine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)Br)F)C2=C(C=C(C=C2F)C(F)(F)F)F

DOS

IR

Vibrations