Geometry & MOs

Info

ID:	17185
PubChem CID:	487209
Reduced:	N2O3C11H14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-62.38
Dipole, Da:	1.95
IP(EA), eV:	-10.01(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2S)-3-methyl-1-oxobutan-2-yl]amino] pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C=O)NOC(=O)C1=CN=CC=C1

DOS

IR

Vibrations