Geometry & MOs

Info

ID:	225104
PubChem CID:	85741759
Reduced:	FHBr2Cl2O2C3 (1)
Stoich.:	ABC2D2E2F3 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-132.71
Dipole, Da:	3.75
IP(EA), eV:	-11.34(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-4-piperidin-1-ylcyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C(=O)(C(C(F)(Cl)Cl)(Br)Br)O

DOS

IR

Vibrations