Geometry & MOs

Info

ID:	79944
PubChem CID:	49831667
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	338.07428
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	3.08
IP(EA), eV:	-9.46(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,6S)-2-[(2R)-1-iodopropan-2-yl]-3-methyl-1,7-dioxaspiro[5.5]undecane

Drug info:

PubChemData

Smile

C[C@@H]1N[C@H](C(=O)N1C)CC2=CC=CC=C2

DOS

IR

Vibrations