Geometry & MOs

Info

ID:	183031
PubChem CID:	76971069
Reduced:	ClNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	590.195042
ΔH_f, kcal/mol:	-128.82
Dipole, Da:	3.88
IP(EA), eV:	-9.24(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one;(2S,5S,6R)-6-(3-chlorophenoxy)-2-methyl-1-oxa-4-azaspiro[4.5]decan-3-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@]2(O1)CCCC[C@H]2OC3=CC(=CC=C3)Cl

DOS

IR

Vibrations