Geometry & MOs

Info

ID:	12258
PubChem CID:	133629
Reduced:	BrO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	268.00989
ΔH_f, kcal/mol:	-62.06
Dipole, Da:	2.79
IP(EA), eV:	-9.33(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromobut-2-en-2-yl 2-phenylacetate

Drug info:

PubChemData

Smile

CC(=C(C)Br)OC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations