Geometry & MOs

Info

ID:	285555
PubChem CID:	104112553
Reduced:	BrNO4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	268.105922
ΔH_f, kcal/mol:	-93.21
Dipole, Da:	1.96
IP(EA), eV:	-9.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(4-ethoxycarbonyl-1,3-oxazol-2-yl)amino]cyclobutyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=COC(=N1)OCC2=CC(=CC=C2)Br

DOS

IR

Vibrations