Geometry & MOs

Info

ID:	49193
PubChem CID:	11528897
Reduced:	O5C12H24 (1)
Stoich.:	A5B12C24 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-201.48
Dipole, Da:	4.7
IP(EA), eV:	-9.78(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,6E,10E,11aS)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

Drug info:

PubChemData

Smile

CCOCC(COCCCCOCC1CO1)O

DOS

IR

Vibrations