Geometry & MOs

Info

ID:	11217
PubChem CID:	112005
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-90.76
Dipole, Da:	4.63
IP(EA), eV:	-9.56(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

Drug info:

PubChemData

Smile

CC1(C2CC1C(C(=O)C2)(C)O)C

DOS

IR

Vibrations