Geometry & MOs

Info

ID:	21499
PubChem CID:	588675
Reduced:	BrO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	280.00989
ΔH_f, kcal/mol:	-44.95
Dipole, Da:	0.97
IP(EA), eV:	-9.46(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromotricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC(C2C1C3=CC=CC=C23)Br

DOS

IR

Vibrations