Geometry & MOs

Info

ID:	263486
PubChem CID:	103371414
Reduced:	BrSN2F3C10H10 (1)
Stoich.:	ABC2D3E10F10 (1)
Weight, g/mol:	252.108562
ΔH_f, kcal/mol:	-115.9
Dipole, Da:	5.29
IP(EA), eV:	-9.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)SCC(C(=N)N)C(F)(F)F)Br

DOS

IR

Vibrations