Geometry & MOs

Info

ID:	183312
PubChem CID:	77006022
Reduced:	NO2F3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	239.113313
ΔH_f, kcal/mol:	-226.78
Dipole, Da:	5.55
IP(EA), eV:	-9.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[propyl(2,2,2-trifluoroethyl)amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)O)CN(CC(F)(F)F)C1CC1

DOS

IR

Vibrations