Geometry & MOs

Info

ID:	380374
PubChem CID:	134970803
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	270.183109
ΔH_f, kcal/mol:	-204.36
Dipole, Da:	3.76
IP(EA), eV:	-9.76(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol

Drug info:

PubChemData

Smile

CC1([C@@H]2CC(=O)[C@@H]([C@@H]2CO1)COC3CCCCO3)C

DOS

IR

Vibrations