Geometry & MOs

Info

ID:	388145
PubChem CID:	134988324
Reduced:	O2C5H10 (2)
Stoich.:	A2B5C10 (2)
Weight, g/mol:	224.00481
ΔH_f, kcal/mol:	-201.84
Dipole, Da:	5.45
IP(EA), eV:	-9.98(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-bromo-3-hydroxy-3-methylhexanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)OCCCCOC

DOS

IR

Vibrations