Geometry & MOs

Info

ID:	386164
PubChem CID:	134980947
Reduced:	MnO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	103.26
Dipole, Da:	3.24
IP(EA), eV:	-7.17(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-3-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].C1CCCC#CCC1.C1=C[CH]C=C1.[Mn]

DOS

IR

Vibrations