Geometry & MOs

Info

ID:	128140
PubChem CID:	51032361
Reduced:	BrO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	235.058691
ΔH_f, kcal/mol:	-89.42
Dipole, Da:	2.08
IP(EA), eV:	-9.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-6,6,6-trifluoro-2-methylhexanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC#CCC(C1=CC=C(C=C1)Br)O

DOS

IR

Vibrations