Geometry & MOs

Info

ID:	23336
PubChem CID:	603131
Reduced:	BrO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	270.02554
ΔH_f, kcal/mol:	-81.21
Dipole, Da:	1.82
IP(EA), eV:	-10.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 4-bromobenzoate

Drug info:

PubChemData

Smile

CCCCCOC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations