Geometry & MOs

Info

ID:	232483
PubChem CID:	87576293
Reduced:	O4C5H12 (1)
Stoich.:	A4B5C12 (1)
Weight, g/mol:	531.392374
ΔH_f, kcal/mol:	-187.16
Dipole, Da:	2.27
IP(EA), eV:	-10.19(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] 3-O-(1,2,2,3,3-pentamethylpiperidin-4-yl) 2-butylpropanedioate

Drug info:

PubChemData

Smile

CO[C@H](CO)[C@@H](CO)O

DOS

IR

Vibrations