Geometry & MOs

Info

ID:	127797
PubChem CID:	51016223
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	136.088815
ΔH_f, kcal/mol:	-201.45
Dipole, Da:	6.06
IP(EA), eV:	-9.9(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-5-methylbicyclo[3.2.1]oct-3-en-6-one

Drug info:

PubChemData

Smile

CC(=O)[C@]12CCC3([C@H](C1)C[C@@H]2CCCO)OCCO3

DOS

IR

Vibrations