Geometry & MOs

Info

ID:	412964
PubChem CID:	135085902
Reduced:	NNaO2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	268.001714
ΔH_f, kcal/mol:	-93.92
Dipole, Da:	13.71
IP(EA), eV:	-9.31(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-formylphenyl)methyl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C#N)C(=O)[O-].[Na+]

DOS

IR

Vibrations