Geometry & MOs

Info

ID:	393951
PubChem CID:	135022040
Reduced:	BrO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	4.16
IP(EA), eV:	-9.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethyl)-1-oxaspiro[2.5]octane

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C[C@@H](C(O1)Br)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations