Geometry & MOs

Info

ID:	309484
PubChem CID:	126546559
Reduced:	ClO7C28H37 (1)
Stoich.:	AB7C28D37 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-278.33
Dipole, Da:	2.24
IP(EA), eV:	-8.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-methylpropan-2-yl)oxy]-2-oxaspiro[3.5]nonane

Drug info:

PubChemData

Smile

C/C(=C(\C=C/C(=C)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/Cl)/CC2=CC=C(C=C2)OC3CC4(C3)CCOCC4

DOS

IR

Vibrations