Geometry & MOs

Info

ID:	50723
PubChem CID:	12013307
Reduced:	BrO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	334.02046
ΔH_f, kcal/mol:	-80.52
Dipole, Da:	7.52
IP(EA), eV:	-9.85(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxo-4-prop-2-enylcyclohexen-1-yl) 2-bromobenzoate

Drug info:

PubChemData

Smile

CC(=C)CC1CCC(=O)C=C1OC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations