Geometry & MOs

Info

ID:	407643
PubChem CID:	135080393
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	159.089543
ΔH_f, kcal/mol:	-92.92
Dipole, Da:	3.6
IP(EA), eV:	-9.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-hydroxy-1-methoxy-5-methylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1([C@H]([C@@H](C2=C(O1)C=C(C=C2)C#N)O)O)C

DOS

IR

Vibrations