Geometry & MOs

Info

ID:	438441
PubChem CID:	135228182
Reduced:	ClN4O6C15H19 (1)
Stoich.:	AB4C6D15E19 (1)
Weight, g/mol:	221.066363
ΔH_f, kcal/mol:	-143.1
Dipole, Da:	5.61
IP(EA), eV:	-9.37(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2,2,2-trifluoroethyl)-2H-pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C/C(=C(\C(=O)OCC)/N)/N(C1=C(C=CC(=C1)Cl)[N+](=O)[O-])N

DOS

IR

Vibrations