Geometry & MOs

Info

ID:	406189
PubChem CID:	135076851
Reduced:	NF6H11C23 (1)
Stoich.:	AB6C11D23 (1)
Weight, g/mol:	300.131429
ΔH_f, kcal/mol:	-168.92
Dipole, Da:	6.67
IP(EA), eV:	-9.47(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-methyl-2-[2-[2-(4-methylphenyl)ethynyl]phenyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)C#N)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations