Geometry & MOs

Info

ID:	50722
PubChem CID:	12013305
Reduced:	BrO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	348.03611
ΔH_f, kcal/mol:	-70.31
Dipole, Da:	6.06
IP(EA), eV:	-10.05(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-methylprop-2-enyl)-3-oxocyclohexen-1-yl] 2-bromobenzoate

Drug info:

PubChemData

Smile

C=CCC1CCC(=O)C=C1OC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations