Geometry & MOs

Info

ID:	11133
PubChem CID:	111416
Reduced:	OC17H28 (1)
Stoich.:	AB17C28 (1)
Weight, g/mol:	248.214016
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	3.78
IP(EA), eV:	-9.71(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1CC(CCC1=O)CC2C3CCC(C3)C2(C)C

DOS

IR

Vibrations