Geometry & MOs

Info

ID:	372022
PubChem CID:	131286904
Reduced:	NSO3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	154.110613
ΔH_f, kcal/mol:	-134.63
Dipole, Da:	3.3
IP(EA), eV:	-9.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1,3-dimethylpiperidine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(NC(=O)S1)C(C)C(=O)O

DOS

IR

Vibrations