Geometry & MOs

Info

ID:	339487
PubChem CID:	127261420
Reduced:	OH14C16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	234.06193
ΔH_f, kcal/mol:	7.09
Dipole, Da:	4.38
IP(EA), eV:	-7.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-2-(2-bromopropan-2-yl)-5-propan-2-yloxolane

Drug info:

PubChemData

Smile

C1C/C(=C/2\CC3=CC=CC4=C3C2=CC=C4)/OC1

DOS

IR

Vibrations