Geometry & MOs

Info

ID:	399962
PubChem CID:	135044229
Reduced:	OC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	253.107181
ΔH_f, kcal/mol:	-206.02
Dipole, Da:	3.03
IP(EA), eV:	-10.71(0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3aR,6Z)-2,2-dimethyl-8-methylidene-1,3,3a,4,5,9-hexahydrocyclopenta[8]annulen-9a-ylium-6-ol;titanium

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC[C@@H](C1)C)C(=O)OCC

DOS

IR

Vibrations