Geometry & MOs

Info

ID:	8498
PubChem CID:	78491
Reduced:	BrO2C6H11 (1)
Stoich.:	AB2C6D11 (1)
Weight, g/mol:	193.99424
ΔH_f, kcal/mol:	-111.67
Dipole, Da:	1.37
IP(EA), eV:	-10.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromobutyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCCCBr

DOS

IR

Vibrations