Geometry & MOs

Info

ID:	150638
PubChem CID:	53790331
Reduced:	Br2O3H14C16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	362.222135
ΔH_f, kcal/mol:	-80.05
Dipole, Da:	2.2
IP(EA), eV:	-9.7(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CO)COC(=O)C2=CC(=CC(=C2)Br)Br

DOS

IR

Vibrations