Geometry & MOs

Info

ID:	388132
PubChem CID:	134988287
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	195.97351
ΔH_f, kcal/mol:	-122.25
Dipole, Da:	1.93
IP(EA), eV:	-9.31(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-bromo-3-hydroxypentanoic acid

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1CC(=C)C=C[C@@H]1CCC(=O)OC

DOS

IR

Vibrations