Geometry & MOs

Info

ID:	398971
PubChem CID:	135036682
Reduced:	OC15H30 (1)
Stoich.:	AB15C30 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-88.87
Dipole, Da:	1.59
IP(EA), eV:	-8.41(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,7S)-8-oxabicyclo[5.1.0]octan-1-yl]pentan-3-ol

Drug info:

PubChemData

Smile

CCCCC/C(=C\OC)/CC(C)C(C)CC

DOS

IR

Vibrations