Geometry & MOs

Info

ID:	389856
PubChem CID:	134995608
Reduced:	BrF3O3C7H8 (1)
Stoich.:	AB3C3D7E8 (1)
Weight, g/mol:	240.131429
ΔH_f, kcal/mol:	-290.02
Dipole, Da:	2.89
IP(EA), eV:	-10.83(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-5-fluoro-1-phenylpent-2-en-2-yl]benzene

Drug info:

PubChemData

Smile

CC(CCC(=O)C(=O)OC(F)(F)F)Br

DOS

IR

Vibrations