Geometry & MOs

Info

ID:	408314
PubChem CID:	135081079
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	208.086622
ΔH_f, kcal/mol:	-179.83
Dipole, Da:	6.09
IP(EA), eV:	-9.98(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2-chloroacetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)O

DOS

IR

Vibrations