Geometry & MOs

Info

ID:	203179
PubChem CID:	79790944
Reduced:	ClNF3O3C12H13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	265.103811
ΔH_f, kcal/mol:	-272.82
Dipole, Da:	4.07
IP(EA), eV:	-9.44(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-ethylimidazol-2-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)(C(F)(F)F)NCCOC1=CC(=CC=C1)Cl

DOS

IR

Vibrations