Geometry & MOs

Info

ID:	283326
PubChem CID:	103974820
Reduced:	FO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	354.04667
ΔH_f, kcal/mol:	-255.84
Dipole, Da:	5.15
IP(EA), eV:	-9.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-2-(cyclobutylmethyl)-3-ethoxy-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCOCCC(C1=CC=C(C=C1)F)(C(=O)O)C(=O)OCC

DOS

IR

Vibrations