Geometry & MOs

Info

ID:	45352
PubChem CID:	10511821
Reduced:	OC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	189.160998
ΔH_f, kcal/mol:	-56.96
Dipole, Da:	3.13
IP(EA), eV:	-9.26(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(fluoro(113C)methyl)-3-hexylcyclobutan-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)[C@@H]3CC[C@@H]3O2

DOS

IR

Vibrations