Geometry & MOs

Info

ID:	240996
PubChem CID:	93619152
Reduced:	N3O5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-138.49
Dipole, Da:	5.67
IP(EA), eV:	-9.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)N[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations