Geometry & MOs

Info

ID:	23381
PubChem CID:	603299
Reduced:	BrO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	253.99424
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	2.04
IP(EA), eV:	-10.03(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl 4-bromobenzoate

Drug info:

PubChemData

Smile

C1CC(C1)OC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations