Geometry & MOs

Info

ID:	395486
PubChem CID:	135025580
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	273.98407
ΔH_f, kcal/mol:	-135.89
Dipole, Da:	2.4
IP(EA), eV:	-9.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C(=O)CC(=O)/C=C/C1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations