Geometry & MOs

Info

ID:	372679
PubChem CID:	131302022
Reduced:	NOC3H3 (3)
Stoich.:	ABC3D3 (3)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-48.78
Dipole, Da:	9.47
IP(EA), eV:	-9.58(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethyl-1-oxidopyridin-1-ium-3-yl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C2C1=CNN2)C(=O)OC

DOS

IR

Vibrations