Geometry & MOs

Info

ID:	50721
PubChem CID:	12013304
Reduced:	BrO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	334.02046
ΔH_f, kcal/mol:	-121.08
Dipole, Da:	3.99
IP(EA), eV:	-10.17(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxo-6-prop-2-enylcyclohexen-1-yl) 2-bromobenzoate

Drug info:

PubChemData

Smile

CC(C)(CBr)C(=O)OC1=CC(=O)CCC1CC=C

DOS

IR

Vibrations