Geometry & MOs

Info

ID:	263487
PubChem CID:	103371535
Reduced:	N2O2F3C10H15 (1)
Stoich.:	A2B2C3D10E15 (1)
Weight, g/mol:	252.108562
ΔH_f, kcal/mol:	-232.09
Dipole, Da:	7.43
IP(EA), eV:	-9.37(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCN(CC(C#N)C(F)(F)F)C(C)CC(=O)O

DOS

IR

Vibrations