Geometry & MOs

Info

ID:	12682
PubChem CID:	143716
Reduced:	O2C7H8 (1)
Stoich.:	A2B7C8 (1)
Weight, g/mol:	124.052429
ΔH_f, kcal/mol:	-34.39
Dipole, Da:	0.97
IP(EA), eV:	-10.44(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[4.1.0]heptane-2,5-dione

Drug info:

PubChemData

Smile

C1CC(=O)C2CC2C1=O

DOS

IR

Vibrations