Geometry & MOs

Info

ID:	388073
PubChem CID:	134988066
Reduced:	BrO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-165.65
Dipole, Da:	6.04
IP(EA), eV:	-10.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexan-2-yl oxolane-2-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@](C)([C@](C)(C(=O)O)Br)O

DOS

IR

Vibrations