Geometry & MOs

Info

ID:	18285
PubChem CID:	539358
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-133.01
Dipole, Da:	0.99
IP(EA), eV:	-9.96(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-hydroxybut-1-enyl)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-2-ol

Drug info:

PubChemData

Smile

CC(C=CC12C(CCC(C1(O2)C)O)(C)C)O

DOS

IR

Vibrations