Geometry & MOs

Info

ID:	231900
PubChem CID:	87574868
Reduced:	BrO3N4F5H12C17 (1)
Stoich.:	AB3C4D5E12F17 (1)
Weight, g/mol:	216.196354
ΔH_f, kcal/mol:	-296.63
Dipole, Da:	2.33
IP(EA), eV:	-9.34(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-carboxyethyl]-tri(propan-2-yl)azanium

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)OC(F)(F)F)CNC(=O)C2=CN3C(=NN(C3=O)CC(F)F)C=C2

DOS

IR

Vibrations