Geometry & MOs

Info

ID:	383818
PubChem CID:	134975761
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	1.7
IP(EA), eV:	-10.23(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3aR,4S,8aR)-1,2,3,3a,4,5,6,8a-octahydroazulene-1,4-diol

Drug info:

PubChemData

Smile

CCCCCCC1=C[C@@H](C[C@@H]1O)O

DOS

IR

Vibrations