Geometry & MOs

Info

ID:	389835
PubChem CID:	134995464
Reduced:	NOC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	161.105193
ΔH_f, kcal/mol:	-34.67
Dipole, Da:	1.15
IP(EA), eV:	-9.57(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1,2-dimethyl-1-oxidopiperidin-1-ium-3,5-diol

Drug info:

PubChemData

Smile

CCCC[C@H]([C@H](C)C=C)NO

DOS

IR

Vibrations