Geometry & MOs

Info

ID:	393348
PubChem CID:	135020224
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-154.44
Dipole, Da:	5.37
IP(EA), eV:	-10.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-(4-methylphenyl)sulfonyl-4-oxa-6-azatricyclo[3.3.1.02,8]nonane

Drug info:

PubChemData

Smile

C[C@@H]1CCC(=O)[C@]2(C1)C(=CC(=O)O2)OC

DOS

IR

Vibrations