Geometry & MOs

Info

ID:	50724
PubChem CID:	12013308
Reduced:	BrO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	348.03611
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	5.48
IP(EA), eV:	-9.88(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylprop-2-enyl)-3-oxocyclohexen-1-yl] 2-bromobenzoate

Drug info:

PubChemData

Smile

C=CCC1CCC(=CC1=O)OC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations