Geometry & MOs

Info

ID:	203245
PubChem CID:	79798566
Reduced:	N2F3O3C12H21 (1)
Stoich.:	A2B3C3D12E21 (1)
Weight, g/mol:	291.083076
ΔH_f, kcal/mol:	-323.35
Dipole, Da:	2.52
IP(EA), eV:	-9.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-methyl-2-[[2-(methylcarbamoyl)pyridin-4-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(CCCC(C)N)C(=O)NC(C)(C(=O)O)C(F)(F)F

DOS

IR

Vibrations