Geometry & MOs

Info

ID:	53281
PubChem CID:	14710076
Reduced:	ClO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	208.050237
ΔH_f, kcal/mol:	-153.98
Dipole, Da:	4.18
IP(EA), eV:	-9.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloropropanoyloxy)-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@](CC=C)(C1=CC=CC=C1)OC(=O)[C@H](C)Cl

DOS

IR

Vibrations