Geometry & MOs

Info

ID:	407503
PubChem CID:	135080248
Reduced:	NO4C8H9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	187.120843
ΔH_f, kcal/mol:	-75.15
Dipole, Da:	3.0
IP(EA), eV:	-10.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]([C@H]([N+](=O)[O-])O)O

DOS

IR

Vibrations