Geometry & MOs

Info

ID:	407861
PubChem CID:	135080616
Reduced:	BrFNO2H3C6 (1)
Stoich.:	ABCD2E3F6 (1)
Weight, g/mol:	184.069971
ΔH_f, kcal/mol:	-56.03
Dipole, Da:	5.4
IP(EA), eV:	-11.61(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-fluoro-3-(4-fluorophenyl)but-3-en-1-ol

Drug info:

PubChemData

Smile

C1[C@H]2[C@]([C@@]2(F)Br)(C(=O)O1)C#N

DOS

IR

Vibrations