Geometry & MOs

Info

ID:	404173
PubChem CID:	135065256
Reduced:	ON2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	249.134049
ΔH_f, kcal/mol:	52.52
Dipole, Da:	1.81
IP(EA), eV:	-9.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,12,12-trifluoro-9-oxododecanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(C(=NN2)C3=CC=CC=C3)C=O

DOS

IR

Vibrations