Geometry & MOs

Info

ID:	261995
PubChem CID:	103265104
Reduced:	BrNF3O3C13H13 (1)
Stoich.:	ABC3D3E13F13 (1)
Weight, g/mol:	203.115758
ΔH_f, kcal/mol:	-261.23
Dipole, Da:	4.27
IP(EA), eV:	-9.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-[(3-methyloxolan-3-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CNCC(C(=O)O)C(F)(F)F)Br

DOS

IR

Vibrations