Geometry & MOs

Info

ID:	127719
PubChem CID:	51012638
Reduced:	ClN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-84.09
Dipole, Da:	7.44
IP(EA), eV:	-9.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,6S)-1-methyl-6-phenylmethoxy-2,9-dioxabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2Cl)C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C(=O)O)C=C4

DOS

IR

Vibrations