Geometry & MOs

Info

ID:	408162
PubChem CID:	135080922
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	194.055464
ΔH_f, kcal/mol:	-171.1
Dipole, Da:	8.17
IP(EA), eV:	-9.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC=C1[C@H]2CC(=O)OC2

DOS

IR

Vibrations