Geometry & MOs

Info

ID:	371652
PubChem CID:	131269852
Reduced:	INO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	232.009576
ΔH_f, kcal/mol:	-30.18
Dipole, Da:	2.83
IP(EA), eV:	-9.38(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-formyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1C(CC2=O)N)I

DOS

IR

Vibrations