Geometry & MOs

Info

ID:	412755
PubChem CID:	135085672
Reduced:	BBrO2C8H14 (1)
Stoich.:	ABC2D8E14 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-154.74
Dipole, Da:	3.49
IP(EA), eV:	-9.51(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-methyl-2-oxocyclopent-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

B1(OCCO1)/C(=C\CCCC)/Br

DOS

IR

Vibrations