Geometry & MOs

Info

ID:	151133
PubChem CID:	53790831
Reduced:	FO3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	359.194402
ΔH_f, kcal/mol:	-64.43
Dipole, Da:	0.87
IP(EA), eV:	-8.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-hydroxy-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations