Geometry & MOs

Info

ID:	388912
PubChem CID:	134990576
Reduced:	BrO3C22H33 (1)
Stoich.:	AB3C22D33 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-177.94
Dipole, Da:	5.18
IP(EA), eV:	-9.86(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3C(=O)C[C@@]2([C@H]1C(=O)CBr)C)C)O

DOS

IR

Vibrations