Geometry & MOs

Info

ID:	372707
PubChem CID:	131302945
Reduced:	N2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	187.120843
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	6.55
IP(EA), eV:	-9.32(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-3-[(2R)-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-2-yl]propane-1,2-diol

Drug info:

PubChemData

Smile

CN1CC[C@@H](C(CC1)C#N)C(=O)O

DOS

IR

Vibrations