Geometry & MOs

Info

ID:	404582
PubChem CID:	135066984
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-203.33
Dipole, Da:	2.94
IP(EA), eV:	-10.54(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-methylpyridin-2-yl)-1-oxidopyridin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@]23CCCC[C@@H]2CC[C@H]1C3)C(=O)OC

DOS

IR

Vibrations