Geometry & MOs

Info

ID:	18279
PubChem CID:	539350
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	3.1
IP(EA), eV:	-9.85(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-2-(2-oxopropyl)bicyclo[3.1.1]heptan-3-one

Drug info:

PubChemData

Smile

CC(=O)CC1C2CC(C2(C)C)CC1=O

DOS

IR

Vibrations