Geometry & MOs

Info

ID:	10004
PubChem CID:	96107
Reduced:	BrO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	241.99424
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	3.61
IP(EA), eV:	-9.33(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1=CC=C(C=C1)Br

DOS

IR

Vibrations