Geometry & MOs

Info

ID:	297303
PubChem CID:	117614754
Reduced:	NH7C8 (4)
Stoich.:	AB7C8 (4)
Weight, g/mol:	258.046791
ΔH_f, kcal/mol:	147.6
Dipole, Da:	7.1
IP(EA), eV:	-8.73(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-difluoro-2-[3-(trifluoromethyl)phenyl]benzene

Drug info:

PubChemData

Smile

CCCCC(C)(C)C1=CC(=C(C(=C1)C#N)N2C3=C(C=C(C=C3)C4=CC=CC=C4)C5=C2C=CN=C5)C#N

DOS

IR

Vibrations