Geometry & MOs

Info

ID:	378421
PubChem CID:	134224502
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	344.307916
ΔH_f, kcal/mol:	124.81
Dipole, Da:	3.85
IP(EA), eV:	-8.47(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-cyclopentylcyclopentyl)methyl]-3-(1-methylcyclohexyl)-7-oxabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCC(C)(CC)C1=C2C=CC(=C1)O2

DOS

IR

Vibrations