Geometry & MOs

Info

ID:	405964
PubChem CID:	135076079
Reduced:	OCl2F3H11C17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	290.090707
ΔH_f, kcal/mol:	-157.67
Dipole, Da:	4.0
IP(EA), eV:	-9.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-difluoro-5-[2-(2-phenylethynyl)phenyl]benzene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)/C=C(\C2=CC(=CC(=C2)Cl)Cl)/C(F)(F)F

DOS

IR

Vibrations