Geometry & MOs

Info

ID:	311994
PubChem CID:	126600704
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-93.83
Dipole, Da:	4.96
IP(EA), eV:	-9.44(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=NOCC3=C4C2=CC(=O)OC4CC3

DOS

IR

Vibrations