Geometry & MOs

Info

ID:	259636
PubChem CID:	103169948
Reduced:	BrFOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-84.19
Dipole, Da:	3.1
IP(EA), eV:	-9.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-3-(4-methoxy-3,5-dimethylpyridin-2-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1CC(C1)CC(CC2=C(C=C(C=C2)F)Br)O

DOS

IR

Vibrations