Geometry & MOs

Info

ID:	388380
PubChem CID:	134989006
Reduced:	O2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	182.049843
ΔH_f, kcal/mol:	-8.38
Dipole, Da:	4.04
IP(EA), eV:	-9.06(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,7S)-7-chloro-7-prop-1-en-2-ylbicyclo[3.2.0]hept-2-en-6-one

Drug info:

PubChemData

Smile

COCC#CC(=C)OCC=C

DOS

IR

Vibrations