Geometry & MOs

Info

ID:	159902
PubChem CID:	57288872
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	319.027927
ΔH_f, kcal/mol:	-41.96
Dipole, Da:	4.71
IP(EA), eV:	-9.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methoxy-4-oxo-2,6-bis(trifluoromethyl)-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)C(C[N+](=O)[O-])C2=NC=CN2

DOS

IR

Vibrations