Geometry & MOs

Info

ID:	224561
PubChem CID:	85344791
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-130.31
Dipole, Da:	1.7
IP(EA), eV:	-9.47(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-cyclohexyl-2-oxabicyclo[3.1.0]hexane-5-carboxylate

Drug info:

PubChemData

Smile

CCC=CCC1C(C=CC1O)CC(=O)OC

DOS

IR

Vibrations