Geometry & MOs

Info

ID:	50269
PubChem CID:	12012785
Reduced:	O5C8H14 (1)
Stoich.:	A5B8C14 (1)
Weight, g/mol:	288.193674
ΔH_f, kcal/mol:	-240.55
Dipole, Da:	2.82
IP(EA), eV:	-10.6(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl (3R)-3-hydroxyheptanedioate

Drug info:

PubChemData

Smile

COC(=O)CC[C@H](CC(=O)OC)O

DOS

IR

Vibrations