Geometry & MOs

Info

ID:	388008
PubChem CID:	134987847
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-116.4
Dipole, Da:	2.53
IP(EA), eV:	-9.83(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3Z,6R)-4-methylbicyclo[4.2.2]deca-3,7-dien-2-one

Drug info:

PubChemData

Smile

C[C@]1(CCCCCCCC1=O)CO

DOS

IR

Vibrations