Geometry & MOs

Info

ID:	408013
PubChem CID:	135080768
Reduced:	ON5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	180.039814
ΔH_f, kcal/mol:	37.94
Dipole, Da:	7.47
IP(EA), eV:	-10.0(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E)-2-methylbuta-1,3-dienyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CN(CC1=NN=NN1C2CCCCC2)O

DOS

IR

Vibrations