Geometry & MOs

Info

ID:	261721
PubChem CID:	103247271
Reduced:	NBr2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	306.119127
ΔH_f, kcal/mol:	-52.35
Dipole, Da:	4.18
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[[(2-propan-2-yloxypyridin-3-yl)methylamino]methyl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)CNC1=C(C=C(C=C1)Br)Br

DOS

IR

Vibrations