Geometry & MOs

Info

ID:	395597
PubChem CID:	135025931
Reduced:	BrOH3C5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	296.106002
ΔH_f, kcal/mol:	-19.43
Dipole, Da:	1.83
IP(EA), eV:	-9.83(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (4R)-4-(2-fluorophenyl)oxetane-2,2-dicarboxylate

Drug info:

PubChemData

Smile

C1C(=O)C=CC2=C(O1)C(=CC(=C2)Br)Br

DOS

IR

Vibrations