Geometry & MOs

Info

ID:	239983
PubChem CID:	93375449
Reduced:	ON3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-26.34
Dipole, Da:	0.88
IP(EA), eV:	-9.29(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-methyl-3-[methyl-[(2S)-piperidine-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](CN(C)C(=O)CNC)C#N

DOS

IR

Vibrations