Geometry & MOs

Info

ID:	79972
PubChem CID:	49831917
Reduced:	IC11H19 (1)
Stoich.:	AB11C19 (1)
Weight, g/mol:	302.111836
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	3.11
IP(EA), eV:	-9.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-[(1S,2S)-2-(4-fluorophenoxy)cyclohex-3-en-1-yl]oxybenzene

Drug info:

PubChemData

Smile

CC(=CC[C@H]1CCCC[C@H]1I)C

DOS

IR

Vibrations