Geometry & MOs

Info

ID:	47709
PubChem CID:	10534879
Reduced:	O3C8H10 (1)
Stoich.:	A3B8C10 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-49.76
Dipole, Da:	2.21
IP(EA), eV:	-10.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-5-hydroxy-1-methylbicyclo[3.2.1]octan-6-one

Drug info:

PubChemData

Smile

COC(=O)C12CC(C1)(C2)C=O

DOS

IR

Vibrations