Geometry & MOs

Info

ID:	259447
PubChem CID:	103165831
Reduced:	BrOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	279.102606
ΔH_f, kcal/mol:	-75.16
Dipole, Da:	2.66
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-chloro-2-cyclobutylethyl)-3-ethyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2=C(C=CC(=C2)Br)OCC)Br

DOS

IR

Vibrations