Geometry & MOs

Info

ID:	222411
PubChem CID:	85300620
Reduced:	O3C8H16 (2)
Stoich.:	A3B8C16 (2)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-269.82
Dipole, Da:	0.79
IP(EA), eV:	-9.8(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,12a-dihydroxy-12-methylidene-5-propan-2-yl-1,2,3,3a,6,7,10,11-octahydrocyclopenta[11]annulene-8-carboxylic acid

Drug info:

PubChemData

Smile

COCCOCCOCCOC1CCCCC1OCCOC

DOS

IR

Vibrations